smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1nccnc1NCc1nccn1Cc1ccccc1 ZINC000096441192 230372986 /nfs/dbraw/zinc/37/29/86/230372986.db2.gz HALFFMLUPFRJSE-UHFFFAOYSA-N 0 0 290.330 2.205 10 30 CEEERN C#CC[C@@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000082678052 178167918 /nfs/dbraw/zinc/16/79/18/178167918.db2.gz ARKLTLSPSOSKNK-SNVBAGLBSA-N 0 0 283.121 2.277 10 30 CEEERN N/C(COc1ccc(Br)cc1Cl)=N\O ZINC000034937213 361797714 /nfs/dbraw/zinc/79/77/14/361797714.db2.gz YBZMFHLXWXDNBM-UHFFFAOYSA-N 0 0 279.521 2.228 10 30 CEEERN C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000034955513 361798680 /nfs/dbraw/zinc/79/86/80/361798680.db2.gz ASVGCEFTSBPPFI-UHFFFAOYSA-N 0 0 278.377 2.017 10 30 CEEERN CS(=O)(=O)OCCCc1c[nH]c2ccc(F)cc12 ZINC000034429660 361790574 /nfs/dbraw/zinc/79/05/74/361790574.db2.gz ZKIZAQGVRJPPTD-UHFFFAOYSA-N 0 0 271.313 2.216 10 30 CEEERN N#CCC[S@@](=O)c1cccc(Br)c1 ZINC000082787818 178293556 /nfs/dbraw/zinc/29/35/56/178293556.db2.gz VASGMMLMYRGFHI-ZDUSSCGKSA-N 0 0 258.140 2.470 10 30 CEEERN C#C[C@@H](O)c1cc(OC)c(OC)cc1Br ZINC000083052778 178336335 /nfs/dbraw/zinc/33/63/35/178336335.db2.gz RTSACZNMNGNGKB-SECBINFHSA-N 0 0 271.110 2.133 10 30 CEEERN N#Cc1ccc(NS(=O)(=O)CC2CCCCC2)c(N)c1 ZINC000096601442 185107982 /nfs/dbraw/zinc/10/79/82/185107982.db2.gz KGNPDXSUQXAZLV-UHFFFAOYSA-N 0 0 293.392 2.462 10 30 CEEERN COc1cccc(CC(=O)Nc2ccc(C#N)cc2N)c1 ZINC000096601393 185108068 /nfs/dbraw/zinc/10/80/68/185108068.db2.gz DDHWUFLWSHJDLU-UHFFFAOYSA-N 0 0 281.315 2.330 10 30 CEEERN N#CCOc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000036988022 361880036 /nfs/dbraw/zinc/88/00/36/361880036.db2.gz KKILQGWWDOIGAJ-UHFFFAOYSA-N 0 0 278.267 2.390 10 30 CEEERN C[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)[S@](C)=O ZINC000125455744 187185906 /nfs/dbraw/zinc/18/59/06/187185906.db2.gz HDWLLJOXCODCST-ZDVLTJLQSA-N 0 0 291.298 2.151 10 30 CEEERN CC[C@H](O)C#Cc1c[nH]c2cncc(Br)c12 ZINC000725246343 539191827 /nfs/dbraw/zinc/19/18/27/539191827.db2.gz VPPVKTNTPFQXFA-VIFPVBQESA-N 0 0 279.137 2.448 10 30 CEEERN COC[C@H](O)CN(C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000042526233 362101505 /nfs/dbraw/zinc/10/15/05/362101505.db2.gz CUAVDNIIQMPJOD-LLVKDONJSA-N 0 0 288.269 2.021 10 30 CEEERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccccc2C#N)o1 ZINC000042271963 362076572 /nfs/dbraw/zinc/07/65/72/362076572.db2.gz YTTZEPRKGDXPNN-NSHDSACASA-N 0 0 290.344 2.499 10 30 CEEERN N#C[C@]1(N2CCCC2)CCN(Cc2ccccc2)C1 ZINC000037355564 343426730 /nfs/dbraw/zinc/42/67/30/343426730.db2.gz YTCVUKTWKLYXQB-MRXNPFEDSA-N 0 0 255.365 2.250 10 30 CEEERN CCOc1cc(N2CCC(O)CC2)cc(F)c1C#N ZINC000143782535 136392948 /nfs/dbraw/zinc/39/29/48/136392948.db2.gz MVURJJQUXNQOHT-UHFFFAOYSA-N 0 0 264.300 2.057 10 30 CEEERN CN1CCc2ccc(C(=O)NC[C@@H]3CC[C@@H](O)C3)cc21 ZINC000330010231 529812392 /nfs/dbraw/zinc/81/23/92/529812392.db2.gz HWRMFNBSMKQISM-BXUZGUMPSA-N 0 0 274.364 2.145 10 30 CEEERN C=CCC[C@H](O)CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000128210709 187357498 /nfs/dbraw/zinc/35/74/98/187357498.db2.gz QLUCCUQXUPMORD-ZDUSSCGKSA-N 0 0 277.412 2.229 10 30 CEEERN CCN(C[C@H](C)C(=O)OC)c1snc(Cl)c1C#N ZINC000092682046 344200177 /nfs/dbraw/zinc/20/01/77/344200177.db2.gz KRWAMJPWVISLIO-ZETCQYMHSA-N 0 0 287.772 2.304 10 30 CEEERN O=C1C=CO[C@H](c2ccc(Br)cn2)C1 ZINC000130117985 344349978 /nfs/dbraw/zinc/34/99/78/344349978.db2.gz LUGLRBPUOPXSHD-JTQLQIEISA-N 0 0 254.083 2.388 10 30 CEEERN Cn1nc(CN(C(=O)OC(C)(C)C)C2CC2)cc1C#N ZINC000147867051 344412688 /nfs/dbraw/zinc/41/26/88/344412688.db2.gz XHYWQKHMWMCDQN-UHFFFAOYSA-N 0 0 276.340 2.191 10 30 CEEERN Cc1ccc(S(=O)(=O)OCC[C@H](O)C(C)C)cc1 ZINC000168204200 344479724 /nfs/dbraw/zinc/47/97/24/344479724.db2.gz WPKNHNSTEJCQQO-ZDUSSCGKSA-N 0 0 272.366 2.107 10 30 CEEERN Cc1cnc2ccccc2c1COS(C)(=O)=O ZINC000218341650 344536464 /nfs/dbraw/zinc/53/64/64/344536464.db2.gz VYHLAJBSWLECKE-UHFFFAOYSA-N 0 0 251.307 2.019 10 30 CEEERN C=C(Br)CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000229317002 344565854 /nfs/dbraw/zinc/56/58/54/344565854.db2.gz BOTPUIVTEJWWLF-UHFFFAOYSA-N 0 0 293.508 2.359 10 30 CEEERN Cc1ccnc(N(CC#N)CC#N)c1Br ZINC000235774914 344592829 /nfs/dbraw/zinc/59/28/29/344592829.db2.gz PYHYHPJWLUCMGW-UHFFFAOYSA-N 0 0 265.114 2.006 10 30 CEEERN C#CC[C@H](NN)c1cccc(Br)c1F ZINC000236284377 344594561 /nfs/dbraw/zinc/59/45/61/344594561.db2.gz OKNWGBXKPFOVEA-VIFPVBQESA-N 0 0 257.106 2.116 10 30 CEEERN Cc1cc(F)c(Br)cc1N/C(N)=N/O ZINC000232107454 344576726 /nfs/dbraw/zinc/57/67/26/344576726.db2.gz KBNUWYRLGNSOED-UHFFFAOYSA-N 0 0 262.082 2.012 10 30 CEEERN N#CCc1cc(F)ccc1I ZINC000238641332 344607693 /nfs/dbraw/zinc/60/76/93/344607693.db2.gz FTBQCCJWOAZGEZ-UHFFFAOYSA-N 0 0 261.037 2.496 10 30 CEEERN COC(=O)c1cc(C#N)cc(C)c1Br ZINC000307445479 344722769 /nfs/dbraw/zinc/72/27/69/344722769.db2.gz FOKOWCZUXHTBHB-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN C#CCCOc1cc(Br)cnc1C#N ZINC000300908455 344701945 /nfs/dbraw/zinc/70/19/45/344701945.db2.gz LQPPVJMNEQMAIZ-UHFFFAOYSA-N 0 0 251.083 2.118 10 30 CEEERN CCOC(=O)COCc1cc(Br)ccc1C#N ZINC000584591426 344960548 /nfs/dbraw/zinc/96/05/48/344960548.db2.gz YSCXSHQEBONTCM-UHFFFAOYSA-N 0 0 298.136 2.400 10 30 CEEERN Cc1ccc(S(=O)(=O)OC2(CCO)CCC2)cc1 ZINC000584600531 344962453 /nfs/dbraw/zinc/96/24/53/344962453.db2.gz PGRALKNOTJRXKE-UHFFFAOYSA-N 0 0 270.350 2.005 10 30 CEEERN N#CC(C#N)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000584602097 344962956 /nfs/dbraw/zinc/96/29/56/344962956.db2.gz IERVQFMDCYLLGN-UHFFFAOYSA-N 0 0 264.222 2.011 10 30 CEEERN CC[C@@H](C=O)[C@H](C[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000584608009 344964317 /nfs/dbraw/zinc/96/43/17/344964317.db2.gz BKARMZSEDBUKIV-CABZTGNLSA-N 0 0 266.253 2.180 10 30 CEEERN C=CCOc1ccc2c(c1)C[C@H](C(=O)OCC)CO2 ZINC000584653050 344973557 /nfs/dbraw/zinc/97/35/57/344973557.db2.gz FKJREZLDNRBKSL-LBPRGKRZSA-N 0 0 262.305 2.366 10 30 CEEERN O=C(/C=C/c1cc(O)cc(O)c1)c1ccc(O)c(O)c1 ZINC000584655704 344974149 /nfs/dbraw/zinc/97/41/49/344974149.db2.gz YNZWHUXBMWCNSU-HNQUOIGGSA-N 0 0 272.256 2.405 10 30 CEEERN N#Cc1c(F)cccc1N1CCC[C@H](CC(N)=O)CC1 ZINC000585784393 345014685 /nfs/dbraw/zinc/01/46/85/345014685.db2.gz XXEWZBZHQWTNJR-NSHDSACASA-N 0 0 275.327 2.179 10 30 CEEERN CC[C@H](C)S(=O)(=O)CCOc1ccc(CC#N)cc1 ZINC000084251910 178832350 /nfs/dbraw/zinc/83/23/50/178832350.db2.gz SMFPCHNDGSPUNL-LBPRGKRZSA-N 0 0 281.377 2.345 10 30 CEEERN CCC[S@](=O)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000084262104 178834008 /nfs/dbraw/zinc/83/40/08/178834008.db2.gz MBUVMYWJGRCVIU-MLCYQJTMSA-N 0 0 264.350 2.044 10 30 CEEERN CC(C)N[C@](C)(C#N)C[C@@H](C)OCC1CCOCC1 ZINC000084306479 178851879 /nfs/dbraw/zinc/85/18/79/178851879.db2.gz BAZOHCIXDASFIJ-HIFRSBDPSA-N 0 0 268.401 2.488 10 30 CEEERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1sccc1C#N ZINC000175738065 232318073 /nfs/dbraw/zinc/31/80/73/232318073.db2.gz GGXHGVSFTRCIQO-SECBINFHSA-N 0 0 294.376 2.422 10 30 CEEERN CN1C[C@@H](CNc2ccc(Cl)cc2C#N)CC1=O ZINC000596491096 346037657 /nfs/dbraw/zinc/03/76/57/346037657.db2.gz OQQCWDFWUKZQFQ-SECBINFHSA-N 0 0 263.728 2.102 10 30 CEEERN Cc1c(C#N)cccc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000178627331 232376691 /nfs/dbraw/zinc/37/66/91/232376691.db2.gz OGJZEKBQZGINFZ-NSHDSACASA-N 0 0 297.314 2.217 10 30 CEEERN CC(=O)Nc1cccc(S(=O)(=O)OCc2ccco2)c1 ZINC000085344858 179028534 /nfs/dbraw/zinc/02/85/34/179028534.db2.gz BTQHXPONAKOGMW-UHFFFAOYSA-N 0 0 295.316 2.144 10 30 CEEERN N#CC1CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000060992834 362674169 /nfs/dbraw/zinc/67/41/69/362674169.db2.gz QXHKHZDDKDZIAF-ZDUSSCGKSA-N 0 0 271.320 2.065 10 30 CEEERN CC#CCC[C@H](NN)c1ccn(-c2ccccc2)n1 ZINC000097782716 185667655 /nfs/dbraw/zinc/66/76/55/185667655.db2.gz PALZOFXZILXEGZ-AWEZNQCLSA-N 0 0 254.337 2.180 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000061888857 362695072 /nfs/dbraw/zinc/69/50/72/362695072.db2.gz WBGBVRCVUAFLBS-QPUJVOFHSA-N 0 0 250.248 2.387 10 30 CEEERN CN(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061888375 362695075 /nfs/dbraw/zinc/69/50/75/362695075.db2.gz DSGZNKDEPNSJKJ-TZMCWYRMSA-N 0 0 257.337 2.175 10 30 CEEERN COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889098 362695962 /nfs/dbraw/zinc/69/59/62/362695962.db2.gz JXAHALZEPIIUQP-QWRGUYRKSA-N 0 0 274.320 2.126 10 30 CEEERN CCN(C(C)=O)c1nc(CN[C@H]2CCC[C@H]2C#N)cs1 ZINC000061892029 362697719 /nfs/dbraw/zinc/69/77/19/362697719.db2.gz FDCNZQWSKOCAQC-AAEUAGOBSA-N 0 0 292.408 2.298 10 30 CEEERN CN(C)C(=O)CCNc1cc(Cl)ccc1C#N ZINC000062785327 362722397 /nfs/dbraw/zinc/72/23/97/362722397.db2.gz VBEOCLZXFDTQLO-UHFFFAOYSA-N 0 0 251.717 2.102 10 30 CEEERN CC(C)(C)OC(=O)[C@](N)(C#N)Cc1c[nH]c2ccccc12 ZINC000098091688 185687564 /nfs/dbraw/zinc/68/75/64/185687564.db2.gz IUWKUUSBKGELAR-MRXNPFEDSA-N 0 0 285.347 2.273 10 30 CEEERN N#CC1([C@H](O)c2ccc(Br)o2)CCOCC1 ZINC000085884211 179196099 /nfs/dbraw/zinc/19/60/99/179196099.db2.gz JOTUMHYIBOVBLT-SNVBAGLBSA-N 0 0 286.125 2.396 10 30 CEEERN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C#N)cc1N ZINC000085915761 179198913 /nfs/dbraw/zinc/19/89/13/179198913.db2.gz CQWMHPBZKUGBCJ-QWRGUYRKSA-N 0 0 293.392 2.092 10 30 CEEERN CCOC[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000085920341 179199690 /nfs/dbraw/zinc/19/96/90/179199690.db2.gz FPVTXJQDWMDSGQ-JTQLQIEISA-N 0 0 256.309 2.338 10 30 CEEERN CCC(CC)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1N ZINC000085918236 179200034 /nfs/dbraw/zinc/20/00/34/179200034.db2.gz HFKVNUIVBRHODY-SNVBAGLBSA-N 0 0 295.408 2.243 10 30 CEEERN C[C@@H]1CC[C@@H](NC(=O)c2cccc(C#CCO)c2)[C@@H]1C ZINC000086081120 179227313 /nfs/dbraw/zinc/22/73/13/179227313.db2.gz PGICATODAURAKK-XJKCOSOUSA-N 0 0 271.360 2.195 10 30 CEEERN N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCOC1 ZINC000086114023 179233968 /nfs/dbraw/zinc/23/39/68/179233968.db2.gz ONVIIYZFVAGJDD-SECBINFHSA-N 0 0 250.685 2.187 10 30 CEEERN CN[C@@]1(C#N)CCC[C@H](n2cc(Br)cn2)C1 ZINC000086604088 179310965 /nfs/dbraw/zinc/31/09/65/179310965.db2.gz JJTOUKYBQJMFJN-QWRGUYRKSA-N 0 0 283.173 2.242 10 30 CEEERN CN(C)C(=O)CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000128756451 187387996 /nfs/dbraw/zinc/38/79/96/187387996.db2.gz GBNMCFMARZSAHP-UHFFFAOYSA-N 0 0 285.269 2.467 10 30 CEEERN Cc1cc(C(=O)NCCC#N)sc1Br ZINC000087018209 179380330 /nfs/dbraw/zinc/38/03/30/179380330.db2.gz VWHJRROGIBSCMO-UHFFFAOYSA-N 0 0 273.155 2.463 10 30 CEEERN CC[C@](C)(C#N)NC(=O)c1snnc1C(C)C ZINC000087442006 179426132 /nfs/dbraw/zinc/42/61/32/179426132.db2.gz VQKYKOKTBJCFKC-LLVKDONJSA-N 0 0 252.343 2.084 10 30 CEEERN CCOC(=O)N1CCCOC[C@H]1c1cccc(C#N)c1 ZINC000616649991 348548057 /nfs/dbraw/zinc/54/80/57/348548057.db2.gz SZMSLTWNYXUNCE-AWEZNQCLSA-N 0 0 274.320 2.478 10 30 CEEERN CCn1cc(N)c(C(=O)Nc2ccc(Cl)c(C#N)c2)n1 ZINC000087875217 179507244 /nfs/dbraw/zinc/50/72/44/179507244.db2.gz GZUNUKXIPCBAME-UHFFFAOYSA-N 0 0 289.726 2.263 10 30 CEEERN Cc1nc(Cl)cc2nnc(-c3ccc(C#N)cn3)n21 ZINC000088071409 179544189 /nfs/dbraw/zinc/54/41/89/179544189.db2.gz AVXNKHNBBDPPHF-UHFFFAOYSA-N 0 0 270.683 2.020 10 30 CEEERN N#Cc1ccc(N2CCCS2(=O)=O)cc1C(F)(F)F ZINC000088191986 179562212 /nfs/dbraw/zinc/56/22/12/179562212.db2.gz HLGXYMZUNYXDKG-UHFFFAOYSA-N 0 0 290.266 2.117 10 30 CEEERN CC(C)N[C@@H](C#N)CN1CCC[C@H](C(F)(F)F)C1 ZINC000088434456 179600353 /nfs/dbraw/zinc/60/03/53/179600353.db2.gz KNGKBWPNUOGUCT-QWRGUYRKSA-N 0 0 263.307 2.151 10 30 CEEERN Cc1c(C#CCO)cccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000088442965 179603158 /nfs/dbraw/zinc/60/31/58/179603158.db2.gz PIALOLFTOZKWKZ-OKILXGFUSA-N 0 0 285.387 2.457 10 30 CEEERN Cc1cncc(C(=O)Nc2ccc(C#CCO)c(F)c2)c1 ZINC000088451833 179606904 /nfs/dbraw/zinc/60/69/04/179606904.db2.gz XKNLTALNESZKTC-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN CC[C@H](C#N)S(=O)(=O)N[C@H]1CCCCC[C@@H]1C ZINC000088515515 179616372 /nfs/dbraw/zinc/61/63/72/179616372.db2.gz JXDWUVJWMXTHLN-TUAOUCFPSA-N 0 0 258.387 2.177 10 30 CEEERN CC(C)[C@H]1CCCN1C(=O)c1ccc(C#CCO)cc1 ZINC000088850602 179682056 /nfs/dbraw/zinc/68/20/56/179682056.db2.gz CGBNXBQHOLUHDH-MRXNPFEDSA-N 0 0 271.360 2.291 10 30 CEEERN O=C(Nc1cccc(F)c1)c1sccc1C#CCO ZINC000104285732 185955026 /nfs/dbraw/zinc/95/50/26/185955026.db2.gz DYKXADHXQRWZKL-UHFFFAOYSA-N 0 0 275.304 2.483 10 30 CEEERN CCn1nc(C)cc1COc1ccc(N)cc1C#N ZINC000089180896 179744441 /nfs/dbraw/zinc/74/44/41/179744441.db2.gz BGZJLYQBDMIWES-UHFFFAOYSA-N 0 0 256.309 2.244 10 30 CEEERN CCc1cc(COc2ccc(C#N)cc2N)n(C)n1 ZINC000089180903 179744833 /nfs/dbraw/zinc/74/48/33/179744833.db2.gz SAGBYJCXPZGMNF-UHFFFAOYSA-N 0 0 256.309 2.015 10 30 CEEERN CCn1nc(C)c(Br)c1CN(C)[C@H](C)C#N ZINC000089278544 179763984 /nfs/dbraw/zinc/76/39/84/179763984.db2.gz QWWSQNPJVTWQAZ-MRVPVSSYSA-N 0 0 285.189 2.318 10 30 CEEERN Cc1nn(C)c(NC[C@H]2Cc3ccccc32)c1C#N ZINC000104317808 185966276 /nfs/dbraw/zinc/96/62/76/185966276.db2.gz HPFVTMPXCGXESW-GFCCVEGCSA-N 0 0 252.321 2.352 10 30 CEEERN CCCC1(O)CN(c2nc3ccccc3cc2C#N)C1 ZINC000089655451 179841640 /nfs/dbraw/zinc/84/16/40/179841640.db2.gz UDLHSJFPDCZYMJ-UHFFFAOYSA-N 0 0 267.332 2.458 10 30 CEEERN C=CCNC(=O)NCC#CCOc1ccccc1Cl ZINC000090728813 180032827 /nfs/dbraw/zinc/03/28/27/180032827.db2.gz OWNRYROCRAYYIA-UHFFFAOYSA-N 0 0 278.739 2.207 10 30 CEEERN N#Cc1ccc(Oc2ncncc2Br)c(N)c1 ZINC000090781473 180038928 /nfs/dbraw/zinc/03/89/28/180038928.db2.gz YSDLMFHSUSJBNX-UHFFFAOYSA-N 0 0 291.108 2.485 10 30 CEEERN Cc1ccc(N[C@@H](C#N)CC(=O)N2CCCC2)cc1 ZINC000091324955 180134554 /nfs/dbraw/zinc/13/45/54/180134554.db2.gz ZKUVUIOPHVNEER-CQSZACIVSA-N 0 0 257.337 2.312 10 30 CEEERN CCn1cc(C[C@](C#N)(C(C)=O)c2ccccc2)cn1 ZINC000091327420 180135799 /nfs/dbraw/zinc/13/57/99/180135799.db2.gz ZSOBMSCXNMHTEA-INIZCTEOSA-N 0 0 267.332 2.496 10 30 CEEERN COC(=O)[C@@H]1C[C@@](C#N)(c2ccccc2F)CCC1=O ZINC000091352003 180137943 /nfs/dbraw/zinc/13/79/43/180137943.db2.gz IMIFXNDULPJOGF-BMIGLBTASA-N 0 0 275.279 2.129 10 30 CEEERN C[C@@H](CCO)SCc1cccc(C#CCO)c1 ZINC000091266415 180116881 /nfs/dbraw/zinc/11/68/81/180116881.db2.gz JSBBBEXFLYUZOI-LBPRGKRZSA-N 0 0 250.363 2.035 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)nc1 ZINC000091448534 180157324 /nfs/dbraw/zinc/15/73/24/180157324.db2.gz RTSRBQXXQUKDSE-SCZZXKLOSA-N 0 0 294.152 2.266 10 30 CEEERN Cc1c(F)cccc1NC(=O)c1ccncc1C#CCO ZINC000091458877 180160927 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366308250 /nfs/dbraw/zinc/30/82/50/366308250.db2.gz KYJZHAGOBOCZNV-UHFFFAOYSA-N 0 0 253.164 2.134 10 30 CEEERN N#CCc1c(N)ccc([N+](=O)[O-])c1Br ZINC000575714487 366340552 /nfs/dbraw/zinc/34/05/52/366340552.db2.gz JTQPBGDKBFZPLB-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN Cc1c(N)ccc(I)c1CC#N ZINC000575718264 366344448 /nfs/dbraw/zinc/34/44/48/366344448.db2.gz CFKGZUTYBZSVME-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN C#CC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000685958769 540657866 /nfs/dbraw/zinc/65/78/66/540657866.db2.gz ACCZPHPLSDAOBG-IINYFYTJSA-N 0 0 251.326 2.082 10 30 CEEERN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)CC[C@H]1CO1 ZINC000685959657 540658949 /nfs/dbraw/zinc/65/89/49/540658949.db2.gz PAECFMWJEWXOSZ-VHSXEESVSA-N 0 0 257.330 2.038 10 30 CEEERN C=CC(=O)[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F ZINC000685961266 540661140 /nfs/dbraw/zinc/66/11/40/540661140.db2.gz FMOYMHJAQIQFJI-APPZFPTMSA-N 0 0 261.268 2.148 10 30 CEEERN N#CCSc1nnc(N)n1Cc1ccc(Cl)cc1 ZINC000001923351 361224824 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/nfs/dbraw/zinc/16/71/82/171167182.db2.gz LBSHGSQZKLLZGW-SECBINFHSA-N 0 0 286.253 2.135 10 30 CEEERN CN(C(=O)c1ccc(C#N)cc1)c1ccc(N)cc1 ZINC000020374039 171169818 /nfs/dbraw/zinc/16/98/18/171169818.db2.gz ZCUHAGFDUKNKLE-UHFFFAOYSA-N 0 0 251.289 2.417 10 30 CEEERN C=CCn1c(CC)nnc1S[C@@H](C)C(=O)OCC ZINC000020425676 171192151 /nfs/dbraw/zinc/19/21/51/171192151.db2.gz IIIFETYTFSEJGE-VIFPVBQESA-N 0 0 269.370 2.070 10 30 CEEERN C[C@@H](Nc1ccc(C#N)c(Cl)c1)C(=O)N(C)C ZINC000037393439 173173765 /nfs/dbraw/zinc/17/37/65/173173765.db2.gz YHTFDYMDYVMRGX-MRVPVSSYSA-N 0 0 251.717 2.100 10 30 CEEERN C[C@@H]1CCCN1C(=O)c1ccc(C#CCCO)cc1 ZINC000037912559 173845751 /nfs/dbraw/zinc/84/57/51/173845751.db2.gz KHDZFWODHQZPID-CYBMUJFWSA-N 0 0 257.333 2.045 10 30 CEEERN CCC[C@@H](C#N)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000040220760 174206511 /nfs/dbraw/zinc/20/65/11/174206511.db2.gz XRHBASMBRDBPNC-JTQLQIEISA-N 0 0 262.269 2.409 10 30 CEEERN C=CCNc1ncnc(NCCCC)c1[N+](=O)[O-] ZINC000040594948 174348530 /nfs/dbraw/zinc/34/85/30/174348530.db2.gz HOPMUSJBIZMZST-UHFFFAOYSA-N 0 0 251.290 2.195 10 30 CEEERN COc1cc(NC(=O)c2ccc(C#N)cc2)ccc1N ZINC000040769876 174399455 /nfs/dbraw/zinc/39/94/55/174399455.db2.gz VSYDQOHJEDXPDG-UHFFFAOYSA-N 0 0 267.288 2.401 10 30 CEEERN CCn1cc(N)cc1C(=O)OCc1ccc(C#N)cc1 ZINC000041102488 174480282 /nfs/dbraw/zinc/48/02/82/174480282.db2.gz DZCFDCYYOWPNJW-UHFFFAOYSA-N 0 0 269.304 2.319 10 30 CEEERN Cc1c(F)cc(C#N)cc1NC1CCS(=O)CC1 ZINC000042353015 174692655 /nfs/dbraw/zinc/69/26/55/174692655.db2.gz ZKXIQFGUFSRCIH-UHFFFAOYSA-N 0 0 266.341 2.329 10 30 CEEERN C[C@@H](C#N)CN(C)Cc1ccc(C#CCCO)cc1F ZINC000042457779 174748513 /nfs/dbraw/zinc/74/85/13/174748513.db2.gz UYCVSSCKZGVWGC-ZDUSSCGKSA-N 0 0 274.339 2.151 10 30 CEEERN CCCN(CC(=O)OCC)c1nc2c(cc1C#N)CCC2 ZINC000043407215 175036988 /nfs/dbraw/zinc/03/69/88/175036988.db2.gz ZJDLTXBWDDZWNM-UHFFFAOYSA-N 0 0 287.363 2.221 10 30 CEEERN O=c1oc2ccccc2n1Cc1cc(C#CCO)cs1 ZINC000043698829 175096572 /nfs/dbraw/zinc/09/65/72/175096572.db2.gz QACQSZVWYZVLAZ-UHFFFAOYSA-N 0 0 285.324 2.048 10 30 CEEERN CCN(Cc1cc(C#CCO)cs1)CC(F)(F)F ZINC000043698772 175096891 /nfs/dbraw/zinc/09/68/91/175096891.db2.gz HWVBNHKXHSOOSL-UHFFFAOYSA-N 0 0 277.311 2.476 10 30 CEEERN CC[C@H]1CN(Cc2cc(C#CCCO)cs2)CCO1 ZINC000043698611 175096991 /nfs/dbraw/zinc/09/69/91/175096991.db2.gz VHQAGBBCSSGKHP-AWEZNQCLSA-N 0 0 279.405 2.093 10 30 CEEERN C[C@@H]1COCCN1C(=O)C1(C#N)CCCCCC1 ZINC000044765737 175248817 /nfs/dbraw/zinc/24/88/17/175248817.db2.gz DBOIDAKNUYXVNF-GFCCVEGCSA-N 0 0 250.342 2.098 10 30 CEEERN Cc1cc([N+](=O)[O-])ccc1NC(=O)C1(C#N)CCOCC1 ZINC000044767360 175250121 /nfs/dbraw/zinc/25/01/21/175250121.db2.gz UUSMGEZXTQPUME-UHFFFAOYSA-N 0 0 289.291 2.162 10 30 CEEERN N#C[C@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1CCO ZINC000044811811 175258071 /nfs/dbraw/zinc/25/80/71/175258071.db2.gz ZIKCKSAWBRUKDD-JKSUJKDBSA-N 0 0 286.375 2.132 10 30 CEEERN Cc1nccc(CNC(=O)C2(C#N)CCCCCC2)n1 ZINC000045008106 175288745 /nfs/dbraw/zinc/28/87/45/175288745.db2.gz INTIFHVMZJGDQJ-UHFFFAOYSA-N 0 0 272.352 2.265 10 30 CEEERN CCCN[C@@](C)(C#N)CN(CC)CC(F)(F)F ZINC000045176806 175323461 /nfs/dbraw/zinc/32/34/61/175323461.db2.gz DNVPCGWNPLZZMJ-JTQLQIEISA-N 0 0 251.296 2.152 10 30 CEEERN N#C[C@](N)(CN1CCc2ccccc2C1)c1ccccc1 ZINC000045179464 175324410 /nfs/dbraw/zinc/32/44/10/175324410.db2.gz UHZVLPZYCVKLRM-SFHVURJKSA-N 0 0 277.371 2.422 10 30 CEEERN CCN(CC(F)(F)F)C[C@@](N)(C#N)c1ccccc1 ZINC000045181679 175325154 /nfs/dbraw/zinc/32/51/54/175325154.db2.gz NRUIRZDKUWRTRI-LBPRGKRZSA-N 0 0 271.286 2.248 10 30 CEEERN CCOC1CCN(C[C@](C#N)(NC)c2ccccc2)CC1 ZINC000045181542 175325211 /nfs/dbraw/zinc/32/52/11/175325211.db2.gz JZXKPCPEGYVBTC-KRWDZBQOSA-N 0 0 287.407 2.126 10 30 CEEERN CC(C)c1nccn1C[C@](N)(C#N)c1ccccc1 ZINC000045183471 175326367 /nfs/dbraw/zinc/32/63/67/175326367.db2.gz AVWMYXAYOFWIMY-OAHLLOKOSA-N 0 0 254.337 2.384 10 30 CEEERN CCN[C@](C#N)(Cn1cc(C)cn1)c1ccccc1 ZINC000045206968 175328453 /nfs/dbraw/zinc/32/84/53/175328453.db2.gz NBSGYJVTRNTUAU-OAHLLOKOSA-N 0 0 254.337 2.220 10 30 CEEERN CCCN[C@](C)(C#N)COc1ccccc1[N+](=O)[O-] ZINC000045214238 175329371 /nfs/dbraw/zinc/32/93/71/175329371.db2.gz DUCQHQQBIMNQNX-CYBMUJFWSA-N 0 0 263.297 2.255 10 30 CEEERN CCCN[C@@](C)(C#N)COc1cccc(N(C)C)c1 ZINC000045215138 175329618 /nfs/dbraw/zinc/32/96/18/175329618.db2.gz CBEPZAOQICIEOD-HNNXBMFYSA-N 0 0 261.369 2.413 10 30 CEEERN C[C@@](N)(C#N)CCSc1ncnc2ccccc21 ZINC000045220278 175330130 /nfs/dbraw/zinc/33/01/30/175330130.db2.gz QAXKETALPYFNKH-ZDUSSCGKSA-N 0 0 258.350 2.353 10 30 CEEERN CN[C@@](C)(C#N)CCCN(CC(F)(F)F)C1CC1 ZINC000045313715 175357578 /nfs/dbraw/zinc/35/75/78/175357578.db2.gz GNNIAAFCRYYVPM-LLVKDONJSA-N 0 0 263.307 2.295 10 30 CEEERN CCCCOCCOCCCC[C@](C)(C#N)NC ZINC000045324091 175359854 /nfs/dbraw/zinc/35/98/54/175359854.db2.gz GAERGWVEQGDARZ-CQSZACIVSA-N 0 0 256.390 2.492 10 30 CEEERN CN[C@](C)(C#N)CCCCOc1ccc2c(c1)OCO2 ZINC000045326322 175359903 /nfs/dbraw/zinc/35/99/03/175359903.db2.gz YSPHRVGDZJGESB-HNNXBMFYSA-N 0 0 276.336 2.466 10 30 CEEERN C[C@@](N)(C#N)CCCCn1cc(Br)cn1 ZINC000045322315 175359955 /nfs/dbraw/zinc/35/99/55/175359955.db2.gz CLIURUIPNXBSIC-JTQLQIEISA-N 0 0 271.162 2.057 10 30 CEEERN C[C@@](N)(C#N)CCCOc1ccc([N+](=O)[O-])cc1F ZINC000045331619 175360355 /nfs/dbraw/zinc/36/03/55/175360355.db2.gz WXPCNXHMLIUHHL-LBPRGKRZSA-N 0 0 267.260 2.134 10 30 CEEERN C[C@H](Sc1cnn(C)c1)C(=O)Nc1ccccc1C#N ZINC000048772348 175447750 /nfs/dbraw/zinc/44/77/50/175447750.db2.gz BMBUZUSANAGQFG-JTQLQIEISA-N 0 0 286.360 2.411 10 30 CEEERN CC(C)COC(=O)N[C@H](C)c1ccc(C#CCO)cc1 ZINC000049589894 175490578 /nfs/dbraw/zinc/49/05/78/175490578.db2.gz GWNISKXLXSTNIU-CYBMUJFWSA-N 0 0 275.348 2.474 10 30 CEEERN CCCCNC(=O)Nc1cc(C#CCCO)ccc1OC ZINC000049590632 175491093 /nfs/dbraw/zinc/49/10/93/175491093.db2.gz UKUGJQVZWVZBIW-UHFFFAOYSA-N 0 0 290.363 2.351 10 30 CEEERN O=C1CCCCCN1Cc1ccc(C#CCO)cc1F ZINC000049618760 175494958 /nfs/dbraw/zinc/49/49/58/175494958.db2.gz OFXDAPWGGLVXIB-UHFFFAOYSA-N 0 0 275.323 2.072 10 30 CEEERN Cc1ccc(F)cc1NC(=O)c1cncc(C#CCO)c1 ZINC000049628352 175497080 /nfs/dbraw/zinc/49/70/80/175497080.db2.gz CTFPVIJECYWLCJ-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN O=C(c1ccc(F)cc1C#CCCO)N1C[C@@H]2CC[C@H]1C2 ZINC000049725186 175498007 /nfs/dbraw/zinc/49/80/07/175498007.db2.gz SJCNXHLGNPSVLB-DOMZBBRYSA-N 0 0 287.334 2.184 10 30 CEEERN C=CCN[C@H](C(=O)OCC)c1c(F)cccc1F ZINC000051961903 175528932 /nfs/dbraw/zinc/52/89/32/175528932.db2.gz UBHNEIFUKOYUCZ-LBPRGKRZSA-N 0 0 255.264 2.345 10 30 CEEERN C=CCN[C@](CC)(C(=O)OC)c1ccc(OC)cc1 ZINC000051961406 175529184 /nfs/dbraw/zinc/52/91/84/175529184.db2.gz ZWKOOMWBABOAKS-HNNXBMFYSA-N 0 0 263.337 2.249 10 30 CEEERN Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000071249369 176095033 /nfs/dbraw/zinc/09/50/33/176095033.db2.gz OWTLSFIWLRPTGR-UHFFFAOYSA-N 0 0 294.307 2.077 10 30 CEEERN O=C(CC(F)(F)F)NCc1cc(C#CCCO)cs1 ZINC000071322025 176122467 /nfs/dbraw/zinc/12/24/67/176122467.db2.gz NSQKQHMYPVJJDY-UHFFFAOYSA-N 0 0 291.294 2.051 10 30 CEEERN Cc1sc(=O)n(Cc2ccc(C#CCO)cc2F)c1C ZINC000071351775 176134962 /nfs/dbraw/zinc/13/49/62/176134962.db2.gz IRNPSTCYZFZHOJ-UHFFFAOYSA-N 0 0 291.347 2.058 10 30 CEEERN CS(=O)(=O)CCSc1nc2ccccc2cc1C#N ZINC000071390725 176148422 /nfs/dbraw/zinc/14/84/22/176148422.db2.gz QHCWMJGPEIZGLB-UHFFFAOYSA-N 0 0 292.385 2.243 10 30 CEEERN C=CCSCC(=O)N(CC)CCc1ccncc1 ZINC000071552810 176196674 /nfs/dbraw/zinc/19/66/74/176196674.db2.gz CUNPLHPEKIOFGL-UHFFFAOYSA-N 0 0 264.394 2.392 10 30 CEEERN C=CCN(CCC(=O)OC)C(=O)c1ccccc1C ZINC000071607145 176230515 /nfs/dbraw/zinc/23/05/15/176230515.db2.gz ICDJUFFRVPBELP-UHFFFAOYSA-N 0 0 261.321 2.186 10 30 CEEERN N#C[C@@H]1c2ccccc2C(=O)N1CCc1nccs1 ZINC000071677979 176243105 /nfs/dbraw/zinc/24/31/05/176243105.db2.gz CXDHBXGYHXROAR-GFCCVEGCSA-N 0 0 269.329 2.406 10 30 CEEERN COC(=O)[C@@H](C)N1C(=O)c2c(ccc3ccccc23)[C@H]1C#N ZINC000071679915 176244659 /nfs/dbraw/zinc/24/46/59/176244659.db2.gz VAALLZLBCXIEPK-QMTHXVAHSA-N 0 0 294.310 2.422 10 30 CEEERN C[C@@H](Cc1ccc2ccccc2n1)OS(C)(=O)=O ZINC000072266675 176352643 /nfs/dbraw/zinc/35/26/43/176352643.db2.gz GLFDVCRILWGJBG-JTQLQIEISA-N 0 0 265.334 2.142 10 30 CEEERN N#CCCn1cc(Br)cc(Cl)c1=O ZINC000076982204 177138111 /nfs/dbraw/zinc/13/81/11/177138111.db2.gz UAPWXYIZJYOFIU-UHFFFAOYSA-N 0 0 261.506 2.178 10 30 CEEERN Cc1cc(C(=O)N(CCC#N)c2ccccc2)n(C)n1 ZINC000078468003 177343810 /nfs/dbraw/zinc/34/38/10/177343810.db2.gz DTXSDVOMIQALAS-UHFFFAOYSA-N 0 0 268.320 2.289 10 30 CEEERN N#CCCN(C(=O)c1csnn1)c1ccccc1 ZINC000078468008 177344013 /nfs/dbraw/zinc/34/40/13/177344013.db2.gz INGQECVVMMMVFO-UHFFFAOYSA-N 0 0 258.306 2.099 10 30 CEEERN Cc1ccnn1CCCC(=O)Nc1cccc(C#N)c1 ZINC000079986061 177592257 /nfs/dbraw/zinc/59/22/57/177592257.db2.gz QBJRZYFPODCZPZ-UHFFFAOYSA-N 0 0 268.320 2.482 10 30 CEEERN Cc1nc(-c2cccc(C(=O)NCC3(C)COC3)c2)n[nH]1 ZINC000329964528 228000063 /nfs/dbraw/zinc/00/00/63/228000063.db2.gz QQXJNRPZDDMWEI-UHFFFAOYSA-N 0 0 286.335 2.121 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NCc1nc2cccnc2s1 ZINC000333650702 228208271 /nfs/dbraw/zinc/20/82/71/228208271.db2.gz UTIUFDNENCHRLJ-VHSXEESVSA-N 0 0 258.350 2.473 10 30 CEEERN C#CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C(F)(F)F ZINC000043464637 260298861 /nfs/dbraw/zinc/29/88/61/260298861.db2.gz AAWJQCWASWSOOA-NSHDSACASA-N 0 0 295.257 2.009 10 30 CEEERN CCCCCCCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111087151 260653206 /nfs/dbraw/zinc/65/32/06/260653206.db2.gz ZLALQRGGWJHJIS-OAHLLOKOSA-N 0 0 293.411 2.471 10 30 CEEERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CC#N ZINC000153742221 261082207 /nfs/dbraw/zinc/08/22/07/261082207.db2.gz HJMWLSWCPQCGSS-CYBMUJFWSA-N 0 0 258.321 2.279 10 30 CEEERN CON=C1CCc2cc([C@H](O)[C@@H](O)c3ccncc3)ccc21 ZINC000255967769 262741293 /nfs/dbraw/zinc/74/12/93/262741293.db2.gz CSJXMGWIFCRNGY-IRXDYDNUSA-N 0 0 298.342 2.145 10 30 CEEERN O=C(C[C@H]1CCCCC(=O)N1)NCC1(CO)CCOCC1 ZINC000328674499 263836912 /nfs/dbraw/zinc/83/69/12/263836912.db2.gz QBFIYJQTNIMSPS-GFCCVEGCSA-N 0 0 298.383 2.021 10 30 CEEERN C=C[C@@H](CC(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000134536236 264514660 /nfs/dbraw/zinc/51/46/60/264514660.db2.gz OSTMVHAAXJFMHK-DZGCQCFKSA-N 0 0 296.374 2.069 10 30 CEEERN CNc1ncc(C(=O)N(C)[C@H](C)CC#N)cc1Cl ZINC000063098362 522693379 /nfs/dbraw/zinc/69/33/79/522693379.db2.gz VCZXUYGUBIFFNO-MRVPVSSYSA-N 0 0 266.732 2.151 10 30 CEEERN N#C[C@@H]1CCC[C@H]1Nc1ncc(Br)cn1 ZINC000379821765 335091390 /nfs/dbraw/zinc/09/13/90/335091390.db2.gz UQJVPRSIFCDMFG-IONNQARKSA-N 0 0 267.130 2.343 10 30 CEEERN CC1CC(C#N)(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000534269365 328042794 /nfs/dbraw/zinc/04/27/94/328042794.db2.gz QEPSTJULJDPQBN-WVIDZAQPSA-N 0 0 264.369 2.246 10 30 CEEERN N#CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000160843453 328088219 /nfs/dbraw/zinc/08/82/19/328088219.db2.gz YWUGFIQIZVOOHX-ZJUUUORDSA-N 0 0 262.259 2.241 10 30 CEEERN C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 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186388997 /nfs/dbraw/zinc/38/89/97/186388997.db2.gz ZSGBQOSZWWJPKM-NSHDSACASA-N 0 0 280.331 2.369 10 30 CEEERN C[C@@H](O)c1ccccc1NC(=O)c1ccc(C#N)cn1 ZINC000111282372 186390435 /nfs/dbraw/zinc/39/04/35/186390435.db2.gz XNSODSQVMMLQLJ-SNVBAGLBSA-N 0 0 267.288 2.259 10 30 CEEERN Cc1cccc(CCNC(=O)c2sccc2C#CCO)c1 ZINC000111535635 186426582 /nfs/dbraw/zinc/42/65/82/186426582.db2.gz FSZRTQLKECCQTB-UHFFFAOYSA-N 0 0 299.395 2.373 10 30 CEEERN CCC[C@H](NC(=O)c1c[nH]c(C#N)c1)C(=O)OC(C)(C)C ZINC000154211571 188129250 /nfs/dbraw/zinc/12/92/50/188129250.db2.gz WQYYSOYTFVKUHU-LBPRGKRZSA-N 0 0 291.351 2.127 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000161440436 188527002 /nfs/dbraw/zinc/52/70/02/188527002.db2.gz BQURMCITROGWRU-SMDDNHRTSA-N 0 0 258.321 2.164 10 30 CEEERN COC(=O)Cc1cc(C=O)c(C#N)c(C(F)(F)F)c1 ZINC000575391059 366268936 /nfs/dbraw/zinc/26/89/36/366268936.db2.gz HEVXSUZJYLKJAQ-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)Cc1c(C#N)c(O)ccc1C(F)(F)F ZINC000575391595 366269825 /nfs/dbraw/zinc/26/98/25/366269825.db2.gz BIWQWPCNKYOSAX-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN COC(=O)Cc1c(C)cc(C#N)cc1OC(F)(F)F ZINC000575394743 366274152 /nfs/dbraw/zinc/27/41/52/366274152.db2.gz NGLJIOVGHKEOMM-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1C#N ZINC000575395465 366275838 /nfs/dbraw/zinc/27/58/38/366275838.db2.gz DFIPGAITDDSNJZ-UHFFFAOYSA-N 0 0 274.154 2.272 10 30 CEEERN COC(=O)c1c(C#N)ccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395713 366275856 /nfs/dbraw/zinc/27/58/56/366275856.db2.gz MWEXBFUACGVZCO-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN COC(=O)c1c(C#N)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575395458 366276207 /nfs/dbraw/zinc/27/62/07/366276207.db2.gz DBJQQXCDYUIONP-UHFFFAOYSA-N 0 0 274.154 2.272 10 30 CEEERN C[C@@H]1CC(C#N)(NC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000575496668 366291793 /nfs/dbraw/zinc/29/17/93/366291793.db2.gz NRYYLJHAIYRFKA-NXEZZACHSA-N 0 0 254.330 2.361 10 30 CEEERN CC(C)(C)OC(=O)NC1CCC(O)(CC#N)CC1 ZINC000575441413 366288787 /nfs/dbraw/zinc/28/87/87/366288787.db2.gz NOPUPSGXPGVDMG-UHFFFAOYSA-N 0 0 254.330 2.098 10 30 CEEERN CC(C)c1ccc(C#C/C=C/C(=O)C(=O)N(C)C)cc1 ZINC000575602384 366298710 /nfs/dbraw/zinc/29/87/10/366298710.db2.gz NTTZIWMUTZPMSD-SOFGYWHQSA-N 0 0 269.344 2.375 10 30 CEEERN N#CCc1cc(I)cc(N)c1F ZINC000575718344 366343959 /nfs/dbraw/zinc/34/39/59/366343959.db2.gz JTDRWNZLHYYHBF-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN N#CCc1ccc(N)c(F)c1I ZINC000575719033 366344536 /nfs/dbraw/zinc/34/45/36/366344536.db2.gz UTJRYYKTRWOZLC-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000299604632 200798651 /nfs/dbraw/zinc/79/86/51/200798651.db2.gz DGAFNUFJSYWAQZ-HNNXBMFYSA-N 0 0 299.374 2.079 10 30 CEEERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)no1 ZINC000181330104 189294615 /nfs/dbraw/zinc/29/46/15/189294615.db2.gz KPPZGOFYVGIAIY-LBPRGKRZSA-N 0 0 299.334 2.370 10 30 CEEERN C=CCOc1cc(Cl)c(N)cc1C(=O)NCC ZINC000003627176 361286754 /nfs/dbraw/zinc/28/67/54/361286754.db2.gz SSEFPGVISJCNAT-UHFFFAOYSA-N 0 0 254.717 2.237 10 30 CEEERN CC(N=NC(N)=S)c1cccc(Br)c1 ZINC000013474220 361429615 /nfs/dbraw/zinc/42/96/15/361429615.db2.gz WJQYKRIBWNZUHM-WUXMJOGZSA-N 0 0 272.171 2.418 10 30 CEEERN COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H]1C ZINC000184614594 189391009 /nfs/dbraw/zinc/39/10/09/189391009.db2.gz SECZZTOPGCBTPZ-JQWIXIFHSA-N 0 0 289.335 2.113 10 30 CEEERN N#Cc1cccc(N(CCO)Cc2ccsc2)n1 ZINC000301842973 201226910 /nfs/dbraw/zinc/22/69/10/201226910.db2.gz KGZVGFDQVOXLMB-UHFFFAOYSA-N 0 0 259.334 2.014 10 30 CEEERN COc1cc(-c2c(C#N)[nH]c(=S)[nH]c2=O)ccc1O ZINC000027027601 361648875 /nfs/dbraw/zinc/64/88/75/361648875.db2.gz RSZPOMKWWPJDLN-UHFFFAOYSA-N 0 0 275.289 2.098 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000094817903 364300051 /nfs/dbraw/zinc/30/00/51/364300051.db2.gz PUUMGJBUIGJYSK-MFKMUULPSA-N 0 0 264.275 2.316 10 30 CEEERN C=C[C@H](NN)c1csc(I)c1 ZINC000097753021 364517741 /nfs/dbraw/zinc/51/77/41/364517741.db2.gz IZJQEKSZJLMVBI-LURJTMIESA-N 0 0 280.134 2.043 10 30 CEEERN CCOC(=O)c1[nH]c(-c2ccccc2)c(C#N)c1N ZINC000098179225 364536809 /nfs/dbraw/zinc/53/68/09/364536809.db2.gz GYVZJYOWNDXDLR-UHFFFAOYSA-N 0 0 255.277 2.312 10 30 CEEERN C=CC1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000111451742 364738791 /nfs/dbraw/zinc/73/87/91/364738791.db2.gz HILBVYYEPWXMHI-YPMHNXCESA-N 0 0 252.358 2.162 10 30 CEEERN N#Cc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000105802074 364703259 /nfs/dbraw/zinc/70/32/59/364703259.db2.gz LHSIWEHZRJHVMM-INIZCTEOSA-N 0 0 293.374 2.107 10 30 CEEERN N#Cc1ccc(NCCCC(=O)NC2CC2)c(F)c1 ZINC000112012016 364769164 /nfs/dbraw/zinc/76/91/64/364769164.db2.gz BYWBIPXOLNVVMZ-UHFFFAOYSA-N 0 0 261.300 2.168 10 30 CEEERN C=CCOc1ccccc1C(=O)NCCn1cc(C)cn1 ZINC000117815170 365126944 /nfs/dbraw/zinc/12/69/44/365126944.db2.gz ZDTQZIYNLCYPQH-UHFFFAOYSA-N 0 0 285.347 2.186 10 30 CEEERN Cc1ccc([C@H](C)NS(=O)(=O)CCCC#N)cc1F ZINC000119466704 365276646 /nfs/dbraw/zinc/27/66/46/365276646.db2.gz KQFNDOBAWGJBRP-NSHDSACASA-N 0 0 284.356 2.418 10 30 CEEERN COC1(CNc2cc(C)nc(C)c2C#N)CCOCC1 ZINC000120535306 365438998 /nfs/dbraw/zinc/43/89/98/365438998.db2.gz GDIDBCYAMSVJRN-UHFFFAOYSA-N 0 0 275.352 2.178 10 30 CEEERN CCOCCN1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000120895134 365491399 /nfs/dbraw/zinc/49/13/99/365491399.db2.gz SJIDEIAPVGYCIJ-ZDUSSCGKSA-N 0 0 293.436 2.162 10 30 CEEERN CN(CC#N)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159802239 366950314 /nfs/dbraw/zinc/95/03/14/366950314.db2.gz UPHCVRFCOOTIQM-GFCCVEGCSA-N 0 0 263.728 2.288 10 30 CEEERN N#Cc1ccc2ncc(CN3CCO[C@H]4CCCC[C@H]43)n2c1 ZINC000245542855 370836432 /nfs/dbraw/zinc/83/64/32/370836432.db2.gz QFJMPLQYXZXZLX-CVEARBPZSA-N 0 0 296.374 2.349 10 30 CEEERN C#CCOc1ccc([C@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164694586 367293212 /nfs/dbraw/zinc/29/32/12/367293212.db2.gz CDNZEEBTAPYDKN-XJKSGUPXSA-N 0 0 296.374 2.476 10 30 CEEERN COC(=O)[C@H]1C[C@@H]1C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000171402057 367535010 /nfs/dbraw/zinc/53/50/10/367535010.db2.gz WJQLCCCDYLDNIB-KBPBESRZSA-N 0 0 286.331 2.051 10 30 CEEERN C[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CCS1 ZINC000171739483 367606788 /nfs/dbraw/zinc/60/67/88/367606788.db2.gz OZHVWWOTOLWQEJ-NSHDSACASA-N 0 0 275.377 2.205 10 30 CEEERN COC(=O)[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000066812586 284011153 /nfs/dbraw/zinc/01/11/53/284011153.db2.gz FXXRUWGVZSDEBE-SNVBAGLBSA-N 0 0 262.284 2.087 10 30 CEEERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)no1 ZINC000176014648 368196221 /nfs/dbraw/zinc/19/62/21/368196221.db2.gz JECGGEBOQWKKMQ-LBPRGKRZSA-N 0 0 299.334 2.370 10 30 CEEERN Cc1cnn([C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)c1 ZINC000176241020 368215544 /nfs/dbraw/zinc/21/55/44/368215544.db2.gz DXJKPAFZNNBXFG-QGZVFWFLSA-N 0 0 293.370 2.407 10 30 CEEERN Cn1cc([C@@H]2CCN(C(=O)c3cccc(F)c3C#N)C2)cn1 ZINC000188051733 369285516 /nfs/dbraw/zinc/28/55/16/369285516.db2.gz QOWMYZFINPHADU-LLVKDONJSA-N 0 0 298.321 2.061 10 30 CEEERN CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)CCO1 ZINC000232818687 370512838 /nfs/dbraw/zinc/51/28/38/370512838.db2.gz VKGKOCAOKWKJBI-SECBINFHSA-N 0 0 276.296 2.231 10 30 CEEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C1CCOCC1 ZINC000235540434 370568821 /nfs/dbraw/zinc/56/88/21/370568821.db2.gz XRQXFXPSLZJHGX-VIFPVBQESA-N 0 0 276.296 2.088 10 30 CEEERN C=CCCO[C@H](C)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247014474 371047471 /nfs/dbraw/zinc/04/74/71/371047471.db2.gz KMBYOVZIYWASIX-IJEWVQPXSA-N 0 0 281.396 2.121 10 30 CEEERN C/N=C\c1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000252481912 371442531 /nfs/dbraw/zinc/44/25/31/371442531.db2.gz CVDDSGDBSCUPFP-DPVXPKBMSA-N 0 0 299.168 2.011 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000061888922 294818736 /nfs/dbraw/zinc/81/87/36/294818736.db2.gz KLJRSUHETVQOSZ-CABZTGNLSA-N 0 0 250.248 2.387 10 30 CEEERN COC(=O)c1cc(C#N)c(Br)cc1C ZINC000307114197 376559428 /nfs/dbraw/zinc/55/94/28/376559428.db2.gz SUACNGLODMMDBE-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 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/nfs/dbraw/zinc/58/25/09/526582509.db2.gz WIXHWFOUQYHVII-UHFFFAOYSA-N 0 0 267.288 2.364 10 30 CEEERN N#Cc1ncccc1CN1CCc2ccc(N)cc21 ZINC000061659251 526790431 /nfs/dbraw/zinc/79/04/31/526790431.db2.gz QAMGIGGOYIPMNP-UHFFFAOYSA-N 0 0 250.305 2.098 10 30 CEEERN N#Cc1ncccc1COc1ccccc1[N+](=O)[O-] ZINC000061664930 526791521 /nfs/dbraw/zinc/79/15/21/526791521.db2.gz DFOPTCLHYUYXMZ-UHFFFAOYSA-N 0 0 255.233 2.440 10 30 CEEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000330234985 526836800 /nfs/dbraw/zinc/83/68/00/526836800.db2.gz SZDNSACKSBSUAI-YVECIDJPSA-N 0 0 253.342 2.085 10 30 CEEERN CC(=O)Nc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000334639411 527037016 /nfs/dbraw/zinc/03/70/16/527037016.db2.gz FSAVGVFVODQBCY-JSGCOSHPSA-N 0 0 271.320 2.067 10 30 CEEERN O=C(Nc1ccccc1F)c1ccc(C#CCCO)cn1 ZINC000061860904 527423197 /nfs/dbraw/zinc/42/31/97/527423197.db2.gz JMOSZXZXROVDGD-UHFFFAOYSA-N 0 0 284.290 2.207 10 30 CEEERN Cc1nn(-c2ncc(N)cc2C#N)c(C)c1Br ZINC000050588461 527572315 /nfs/dbraw/zinc/57/23/15/527572315.db2.gz UYNCDIMARMEORZ-UHFFFAOYSA-N 0 0 292.140 2.101 10 30 CEEERN CC(C)(C#N)CCCN1c2cc(N)ccc2OCC1=O ZINC000087598654 534983925 /nfs/dbraw/zinc/98/39/25/534983925.db2.gz YKEZMABKDGURIV-UHFFFAOYSA-N 0 0 273.336 2.324 10 30 CEEERN C[C@H](S)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000757160822 574511161 /nfs/dbraw/zinc/51/11/61/574511161.db2.gz QNMRKCQIOFTHPB-UWVGGRQHSA-N 0 0 261.387 2.331 10 30 CEEERN CC[C@H]1OCC[C@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000234118335 623183474 /nfs/dbraw/zinc/18/34/74/623183474.db2.gz PUPOTRIRIZRIRK-HUUCEWRRSA-N 0 0 272.348 2.332 10 30 CEEERN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176090661 624011943 /nfs/dbraw/zinc/01/19/43/624011943.db2.gz WLDXEJUUQFEWTM-MCIONIFRSA-N 0 0 274.364 2.190 10 30 CEEERN N#Cc1sc(N[C@@H]2CCC[C@H](O)C2)nc1Cl ZINC000309553728 625040483 /nfs/dbraw/zinc/04/04/83/625040483.db2.gz GXXBXNPOYWSYCJ-RQJHMYQMSA-N 0 0 257.746 2.384 10 30 CEEERN Cc1noc([C@]23CCC[C@H]2CN(c2ncccc2C#N)C3)n1 ZINC000888097683 628867123 /nfs/dbraw/zinc/86/71/23/628867123.db2.gz MQJYXJXVUFUFTB-BBRMVZONSA-N 0 0 295.346 2.203 10 30 CEEERN C[C@H](OC(=O)c1cccc(CC#N)c1)[C@H]1CCOC1 ZINC000079185782 630908031 /nfs/dbraw/zinc/90/80/31/630908031.db2.gz AGLSYYUSNNNPRD-FZMZJTMJSA-N 0 0 259.305 2.334 10 30 CEEERN C[C@H](OC(=O)CSCC#N)c1nc2ccccc2[nH]1 ZINC000171336598 639713009 /nfs/dbraw/zinc/71/30/09/639713009.db2.gz XZRCWFJHPMEYJQ-VIFPVBQESA-N 0 0 275.333 2.424 10 30 CEEERN C=CCOC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171857571 639734418 /nfs/dbraw/zinc/73/44/18/639734418.db2.gz KERKCKMBUGMLHF-UKRRQHHQSA-N 0 0 273.332 2.325 10 30 CEEERN COC[C@@H](C)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000175389299 641326857 /nfs/dbraw/zinc/32/68/57/641326857.db2.gz QHZKGPMGLULCSV-TZMCWYRMSA-N 0 0 261.321 2.195 10 30 CEEERN CC[C@@H]1OCC[C@@H]1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000233928542 641346160 /nfs/dbraw/zinc/34/61/60/641346160.db2.gz PUPOTRIRIZRIRK-GJZGRUSLSA-N 0 0 272.348 2.332 10 30 CEEERN N#Cc1cnn(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1N ZINC000109093910 642580338 /nfs/dbraw/zinc/58/03/38/642580338.db2.gz PPGFZHJULWFVFX-UWVGGRQHSA-N 0 0 288.257 2.059 10 30 CEEERN CCCCCCCCCCNC(=O)[C@H]1CNC(=O)C1 ZINC000122346967 648310754 /nfs/dbraw/zinc/31/07/54/648310754.db2.gz WHBPBDVNWSRDLN-CYBMUJFWSA-N 0 0 268.401 2.379 10 30 CEEERN Cc1nn(-c2ccc(Cl)nn2)c(Cl)c1C#N ZINC000082608273 178125941 /nfs/dbraw/zinc/12/59/41/178125941.db2.gz GXDWVAAKOFNVIV-UHFFFAOYSA-N 0 0 254.080 2.149 10 30 CEEERN N/N=C/c1nc(-c2ccc(F)cc2)n2ccccc12 ZINC000033960844 361786113 /nfs/dbraw/zinc/78/61/13/361786113.db2.gz ZIBKOMDYWNQLRD-RQZCQDPDSA-N 0 0 254.268 2.433 10 30 CEEERN C=CCN1CCN(C(=O)CC2CC2)Cc2cccnc21 ZINC000096100590 185098110 /nfs/dbraw/zinc/09/81/10/185098110.db2.gz LMUUORNDGUVKKR-UHFFFAOYSA-N 0 0 271.364 2.216 10 30 CEEERN CC(C)[C@@]1(C)CC(=O)N(c2ccc(C#N)cc2N)C1=O ZINC000096601618 185107771 /nfs/dbraw/zinc/10/77/71/185107771.db2.gz AMDDERWAQTWAEA-OAHLLOKOSA-N 0 0 271.320 2.066 10 30 CEEERN N#Cc1cnc(N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000125970077 187208245 /nfs/dbraw/zinc/20/82/45/187208245.db2.gz UHVUNAVHOZHAJB-HZPDHXFCSA-N 0 0 294.358 2.441 10 30 CEEERN CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(C#N)CC(C)C1 ZINC000126275337 365705362 /nfs/dbraw/zinc/70/53/62/365705362.db2.gz CATSJWCRFXUYBH-JVWICGRDSA-N 0 0 265.401 2.019 10 30 CEEERN C=CCCO[C@H](C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126436187 187239594 /nfs/dbraw/zinc/23/95/94/187239594.db2.gz BWZPTRPQRKWFTN-CQSZACIVSA-N 0 0 291.395 2.103 10 30 CEEERN C=CCOc1ccccc1OC[C@H](O)CN(N=O)C(C)C ZINC000005760275 343355378 /nfs/dbraw/zinc/35/53/78/343355378.db2.gz YNIJTDHMIVPPSK-CYBMUJFWSA-N 0 0 294.351 2.383 10 30 CEEERN N#CCCN(Cc1cccnc1)c1ccccc1CO ZINC000034956757 343421080 /nfs/dbraw/zinc/42/10/80/343421080.db2.gz UYKSLBXELIXYEA-UHFFFAOYSA-N 0 0 267.332 2.494 10 30 CEEERN N#Cc1cnc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)cn1 ZINC000126780501 187261937 /nfs/dbraw/zinc/26/19/37/187261937.db2.gz AXEAOVROFVCMIF-OAHLLOKOSA-N 0 0 298.321 2.190 10 30 CEEERN Cc1ccc(N2CCC(c3ccnn3C)CC2)nc1C#N ZINC000302657968 136457921 /nfs/dbraw/zinc/45/79/21/136457921.db2.gz OJYVYTFRKSYTIE-UHFFFAOYSA-N 0 0 281.363 2.379 10 30 CEEERN N#CNC(=NCCF)N[C@H]1CCCc2c(F)cccc21 ZINC000115344690 344282517 /nfs/dbraw/zinc/28/25/17/344282517.db2.gz DAWNMYURKPZZPC-ZDUSSCGKSA-N 0 0 278.306 2.189 10 30 CEEERN C[C@H](C#N)N(C)Cc1ccc(Br)cn1 ZINC000160599024 344460274 /nfs/dbraw/zinc/46/02/74/344460274.db2.gz UIDRYPBBCAKSPB-MRVPVSSYSA-N 0 0 254.131 2.188 10 30 CEEERN CCC(C#N)(CC)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160645958 344460716 /nfs/dbraw/zinc/46/07/16/344460716.db2.gz DLWBQESJFQIAJB-CZUORRHYSA-N 0 0 278.396 2.470 10 30 CEEERN N#C[C@@]1(NCc2ccccc2)CCN2CCCC[C@H]21 ZINC000228258415 344559578 /nfs/dbraw/zinc/55/95/78/344559578.db2.gz WCHCDBHALKYWHZ-HOTGVXAUSA-N 0 0 255.365 2.297 10 30 CEEERN N#CCc1cc(F)cc(I)c1 ZINC000238602248 344606956 /nfs/dbraw/zinc/60/69/56/344606956.db2.gz OVSSQSMACXNRMZ-UHFFFAOYSA-N 0 0 261.037 2.496 10 30 CEEERN N#CCc1cccc([N+](=O)[O-])c1I ZINC000238580087 344607002 /nfs/dbraw/zinc/60/70/02/344607002.db2.gz NVZWRYYEGZRYKT-UHFFFAOYSA-N 0 0 288.044 2.265 10 30 CEEERN N#Cc1cc(F)cc(I)c1F ZINC000307089209 344720069 /nfs/dbraw/zinc/72/00/69/344720069.db2.gz UQXTYQHLJPQNSF-UHFFFAOYSA-N 0 0 265.000 2.441 10 30 CEEERN O=C(C#CBr)Nc1ccc(F)c(F)c1 ZINC000307237421 344721271 /nfs/dbraw/zinc/72/12/71/344721271.db2.gz XDCQITOGDVPHMS-UHFFFAOYSA-N 0 0 260.037 2.259 10 30 CEEERN COC(=O)c1cc(C)c(Br)c(C#N)c1 ZINC000307274662 344721324 /nfs/dbraw/zinc/72/13/24/344721324.db2.gz ZUSIQQFXVQYKBI-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN C[C@H](NC(=O)C#CBr)c1cccc(F)c1 ZINC000306610546 344715688 /nfs/dbraw/zinc/71/56/88/344715688.db2.gz AODVFBIUSCQCBS-QMMMGPOBSA-N 0 0 270.101 2.359 10 30 CEEERN Cc1ccncc1[NH+]=C([O-])NC[C@H]1CCc2nccn2C1 ZINC000328628944 344756276 /nfs/dbraw/zinc/75/62/76/344756276.db2.gz OFRXKLMXIJJYRY-GFCCVEGCSA-N 0 0 285.351 2.175 10 30 CEEERN CCO[C@@]1(C(=O)Nc2cc(C)cc(C#N)c2)CCOC1 ZINC000401819741 344870394 /nfs/dbraw/zinc/87/03/94/344870394.db2.gz YNFRXVFNLSHQRR-HNNXBMFYSA-N 0 0 274.320 2.001 10 30 CEEERN CCO[C@]1(C(=O)Nc2cc(C)cc(C#N)c2)CCOC1 ZINC000401819744 344870414 /nfs/dbraw/zinc/87/04/14/344870414.db2.gz YNFRXVFNLSHQRR-OAHLLOKOSA-N 0 0 274.320 2.001 10 30 CEEERN CC1CCC(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000407297035 344885712 /nfs/dbraw/zinc/88/57/12/344885712.db2.gz ATODENOTSOEPFY-POOIEITISA-N 0 0 270.398 2.177 10 30 CEEERN COc1cc(Cl)ccc1/C=C/S(=O)(=O)OC ZINC000584606833 344964089 /nfs/dbraw/zinc/96/40/89/344964089.db2.gz WZYCOOHYGLEDAS-AATRIKPKSA-N 0 0 262.714 2.296 10 30 CEEERN C=CC[C@]1(O)c2c(cccc2Br)N(C)C1=O ZINC000584610750 344964865 /nfs/dbraw/zinc/96/48/65/344964865.db2.gz BJARGVIMXBJDFQ-LBPRGKRZSA-N 0 0 282.137 2.189 10 30 CEEERN C=CCSc1nc(N)nc(Nc2ccccc2C)n1 ZINC000584615579 344965943 /nfs/dbraw/zinc/96/59/43/344965943.db2.gz YIBSXJSUOZOZRY-UHFFFAOYSA-N 0 0 273.365 2.036 10 30 CEEERN N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000591994766 345312249 /nfs/dbraw/zinc/31/22/49/345312249.db2.gz YPLPCXSMRDHAEU-XXILOJSOSA-N 0 0 258.281 2.462 10 30 CEEERN N#Cc1cnc(Oc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000071179328 232180147 /nfs/dbraw/zinc/18/01/47/232180147.db2.gz AVBDOMHZPUTVMO-UHFFFAOYSA-N 0 0 260.184 2.188 10 30 CEEERN CCN(CCC#N)c1c([N+](=O)[O-])c(C)nn1C(C)C ZINC000097128079 185542109 /nfs/dbraw/zinc/54/21/09/185542109.db2.gz ZXHBDCGKMSAXMX-UHFFFAOYSA-N 0 0 265.317 2.421 10 30 CEEERN N#Cc1ccc(CNC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000058575848 362633347 /nfs/dbraw/zinc/63/33/47/362633347.db2.gz XRDZKWNSHKVILD-HNNXBMFYSA-N 0 0 293.326 2.491 10 30 CEEERN CN(C)c1nccc(NCc2cccc(C#N)c2)n1 ZINC000085435842 179062260 /nfs/dbraw/zinc/06/22/60/179062260.db2.gz DIQDXCVNVGHODQ-UHFFFAOYSA-N 0 0 253.309 2.026 10 30 CEEERN N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCOC[C@@H]1O ZINC000599176117 346473725 /nfs/dbraw/zinc/47/37/25/346473725.db2.gz JNMIBOQHBFNQFO-RYUDHWBXSA-N 0 0 286.253 2.139 10 30 CEEERN C=CCN1C(=O)[C@@H](CCC)NC(=O)[C@H]1C1CCCCC1 ZINC000085714061 179126055 /nfs/dbraw/zinc/12/60/55/179126055.db2.gz ICUQSNFZQJTYLP-ZIAGYGMSSA-N 0 0 278.396 2.248 10 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JVDVXHVPAVDHLK-UHFFFAOYSA-N 0 0 266.300 2.367 10 30 CEEERN CC1CCC(C#N)(NS(=O)(=O)c2ccccc2)CC1 ZINC000040364640 343436830 /nfs/dbraw/zinc/43/68/30/343436830.db2.gz XLNSSDDJSQNFCO-UHFFFAOYSA-N 0 0 278.377 2.437 10 30 CEEERN CN1CCN([C@H]2CCc3ccc(Cl)cc32)C[C@@H]1C#N ZINC000336462146 529776268 /nfs/dbraw/zinc/77/62/68/529776268.db2.gz OCRZJWKCAUVNAB-ZFWWWQNUSA-N 0 0 275.783 2.467 10 30 CEEERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2)o1 ZINC000048983869 362320305 /nfs/dbraw/zinc/32/03/05/362320305.db2.gz QDBCNKMFPGXJHS-LLVKDONJSA-N 0 0 297.314 2.276 10 30 CEEERN O=C1C=C[C@@H]2C(=O)C(c3ccc(O)cc3)=CO[C@H]2C1 ZINC000098194044 344247139 /nfs/dbraw/zinc/24/71/39/344247139.db2.gz DMXQMMWGBIMHME-JSGCOSHPSA-N 0 0 256.257 2.329 10 30 CEEERN C=CCCn1c(C)c(Br)c(C)nc1=O ZINC000129213080 344342027 /nfs/dbraw/zinc/34/20/27/344342027.db2.gz PPWWDCRLERPNIC-UHFFFAOYSA-N 0 0 257.131 2.199 10 30 CEEERN CC[C@@H](C#N)[C@H](O)c1ccc(Br)cn1 ZINC000130177323 344350729 /nfs/dbraw/zinc/35/07/29/344350729.db2.gz OKUYVHSYPIKLAQ-XVKPBYJWSA-N 0 0 255.115 2.427 10 30 CEEERN CC(C)c1nc([C@@H]2CCCN2c2ccc(C#N)nn2)no1 ZINC000123476395 344310069 /nfs/dbraw/zinc/31/00/69/344310069.db2.gz VJSVBCAKWJMLOH-NSHDSACASA-N 0 0 284.323 2.196 10 30 CEEERN N#Cc1cc2c(nc1N)CCN(Cc1ccccc1)C2 ZINC000139884246 344396411 /nfs/dbraw/zinc/39/64/11/344396411.db2.gz YERZZTVLTXATEN-UHFFFAOYSA-N 0 0 264.332 2.094 10 30 CEEERN CN[C@@H](C#N)c1cc(OC)ccc1Br ZINC000234394246 344585091 /nfs/dbraw/zinc/58/50/91/344585091.db2.gz PCFGVIDRFFHUPV-JTQLQIEISA-N 0 0 255.115 2.242 10 30 CEEERN C[C@H](O)c1cc(Br)ccc1OCC#N ZINC000052067954 362463181 /nfs/dbraw/zinc/46/31/81/362463181.db2.gz KXDFVRPLHUUEAP-ZETCQYMHSA-N 0 0 256.099 2.405 10 30 CEEERN O=C(NCc1ccc(C#CCCO)s1)c1ccccc1 ZINC000083684416 178686161 /nfs/dbraw/zinc/68/61/61/178686161.db2.gz LIOMOHRTWKXHKU-UHFFFAOYSA-N 0 0 285.368 2.412 10 30 CEEERN N#CCc1cc(I)cc([N+](=O)[O-])c1 ZINC000238581033 344606992 /nfs/dbraw/zinc/60/69/92/344606992.db2.gz XZCZSZCWULDMAO-UHFFFAOYSA-N 0 0 288.044 2.265 10 30 CEEERN NC(=O)c1ccccc1N=Cc1ccc([N+](=O)[O-])cc1 ZINC000254344884 344645399 /nfs/dbraw/zinc/64/53/99/344645399.db2.gz BIUPZGCVJXWGRJ-UHFFFAOYSA-N 0 0 269.260 2.444 10 30 CEEERN C[C@@H](COCc1ccccc1)NC(=O)CCS ZINC000307403648 344722455 /nfs/dbraw/zinc/72/24/55/344722455.db2.gz ATZGGRRQWBWKRV-NSHDSACASA-N 0 0 253.367 2.028 10 30 CEEERN CC#CCCC(=O)c1ncncc1Br ZINC000306224551 344712383 /nfs/dbraw/zinc/71/23/83/344712383.db2.gz DROQFMGPJNUOSC-UHFFFAOYSA-N 0 0 253.099 2.225 10 30 CEEERN COC[C@@H](C#N)Nc1ccccc1Br ZINC000306231128 344712752 /nfs/dbraw/zinc/71/27/52/344712752.db2.gz BSWUTNZTEUNWSL-MRVPVSSYSA-N 0 0 255.115 2.400 10 30 CEEERN N/N=C/c1cc(Br)cc(Br)c1N ZINC000306567743 344714613 /nfs/dbraw/zinc/71/46/13/344714613.db2.gz SWGVBLSNGMBXGI-KGVSQERTSA-N 0 0 292.962 2.086 10 30 CEEERN Cc1cccc([NH+]=C([O-])N(C)C[C@@H]2CCc3nccn3C2)n1 ZINC000328645421 344758131 /nfs/dbraw/zinc/75/81/31/344758131.db2.gz ZQKJKODDTIPZJT-ZDUSSCGKSA-N 0 0 299.378 2.326 10 30 CEEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000328610474 344755832 /nfs/dbraw/zinc/75/58/32/344755832.db2.gz HYKIBZFTKGNBTM-AAEUAGOBSA-N 0 0 289.339 2.126 10 30 CEEERN C[C@H](C(=O)NC[C@H]1CCn2ccnc2C1)C1CCOCC1 ZINC000328614255 344755948 /nfs/dbraw/zinc/75/59/48/344755948.db2.gz ADKKCKIQODGZHM-STQMWFEESA-N 0 0 291.395 2.465 10 30 CEEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2ccc(F)nc2)c1 ZINC000584618267 344966470 /nfs/dbraw/zinc/96/64/70/344966470.db2.gz FSDQTQBBCCCNKG-UHFFFAOYSA-N 0 0 280.262 2.340 10 30 CEEERN N#Cc1cnc(N)c(CCC(F)(F)C(F)(F)F)n1 ZINC000584628880 344968870 /nfs/dbraw/zinc/96/88/70/344968870.db2.gz XRFARPDTDIQSHQ-UHFFFAOYSA-N 0 0 266.173 2.061 10 30 CEEERN CC[C@@H](CC#N)S(=O)(=O)c1ccccc1OC ZINC000084254808 178833060 /nfs/dbraw/zinc/83/30/60/178833060.db2.gz SHBYYUCYVPBRPZ-JTQLQIEISA-N 0 0 253.323 2.161 10 30 CEEERN CCC[S@@](=O)CCC(=O)Nc1cccc(C#N)c1 ZINC000084262173 178833970 /nfs/dbraw/zinc/83/39/70/178833970.db2.gz GPURKSBMSOIQIS-SFHVURJKSA-N 0 0 264.350 2.046 10 30 CEEERN 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N#CCc1cc([N+](=O)[O-])c(C#N)cc1OC(F)(F)F ZINC000575648126 366311477 /nfs/dbraw/zinc/31/14/77/366311477.db2.gz JZPYFKKHXXQODW-UHFFFAOYSA-N 0 0 271.154 2.431 10 30 CEEERN N#CCc1ccc(I)c(N)c1F ZINC000575718250 366343930 /nfs/dbraw/zinc/34/39/30/366343930.db2.gz HGSJCLHZNGZRBC-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN N#Cc1c(N)ccc(Cl)c1I ZINC000575720097 366345310 /nfs/dbraw/zinc/34/53/10/366345310.db2.gz GHGIKAMZKJJGBY-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN c1ccc2c(c1)OC[C@H](c1nnc(SC[C@@H]3CO3)o1)O2 ZINC000000344088 361164074 /nfs/dbraw/zinc/16/40/74/361164074.db2.gz MKWPTZCBSQEZGU-GZMMTYOYSA-N 0 0 292.316 2.073 10 30 CEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1cccs1 ZINC000182889614 189338193 /nfs/dbraw/zinc/33/81/93/189338193.db2.gz YTZRDVBUJDDJCX-UWVGGRQHSA-N 0 0 254.355 2.045 10 30 CEEERN N#Cc1ccc(-c2nc3c(cccc3C(N)=O)[nH]2)cc1 ZINC000013834538 361443576 /nfs/dbraw/zinc/44/35/76/361443576.db2.gz HRZOSZZKYDGKSC-UHFFFAOYSA-N 0 0 262.272 2.200 10 30 CEEERN C=CCCOCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183393459 189357794 /nfs/dbraw/zinc/35/77/94/189357794.db2.gz NLUREWYNLVICQV-CQSZACIVSA-N 0 0 292.383 2.239 10 30 CEEERN CCO[C@@H]1C[C@@H](Nc2cccc(C#N)n2)C12CCOCC2 ZINC000184101751 189376659 /nfs/dbraw/zinc/37/66/59/189376659.db2.gz CFHCCBDEMKOZQT-ZIAGYGMSSA-N 0 0 287.363 2.339 10 30 CEEERN CC(C)C1N=NC(=S)N1CCNc1cccc(C#N)n1 ZINC000301844935 201230383 /nfs/dbraw/zinc/23/03/83/201230383.db2.gz LWXDBNNYEUMSEO-UHFFFAOYSA-N 0 0 288.380 2.069 10 30 CEEERN C[C@H](CNc1ccc(C#N)nn1)Nc1ccccc1 ZINC000301913881 201259118 /nfs/dbraw/zinc/25/91/18/201259118.db2.gz CRMSEFNAWFKSQE-LLVKDONJSA-N 0 0 253.309 2.261 10 30 CEEERN CC(=O)c1ccc(C#N)c(N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000302103015 201342490 /nfs/dbraw/zinc/34/24/90/201342490.db2.gz LZOCCOOWQWYWEF-OAHLLOKOSA-N 0 0 294.358 2.488 10 30 CEEERN C[C@H]1C[C@@H](O)CN(c2ccc(Cl)cc2C#N)C1 ZINC000335239093 364671654 /nfs/dbraw/zinc/67/16/54/364671654.db2.gz QQLJUTFBSKLLIR-JOYOIKCWSA-N 0 0 250.729 2.419 10 30 CEEERN C[C@@H]1C[C@@H](O)CN(c2c(F)cc(C#N)cc2F)C1 ZINC000335240938 364672487 /nfs/dbraw/zinc/67/24/87/364672487.db2.gz YMFWHUKJPHGVEU-PSASIEDQSA-N 0 0 252.264 2.044 10 30 CEEERN C#CCCCC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000192200005 189615965 /nfs/dbraw/zinc/61/59/65/189615965.db2.gz RENVHLSMJJVKJE-WFASDCNBSA-N 0 0 293.313 2.403 10 30 CEEERN C=CCNC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000114580882 364953019 /nfs/dbraw/zinc/95/30/19/364953019.db2.gz BAVAQCFEERNTSC-GFCCVEGCSA-N 0 0 262.357 2.069 10 30 CEEERN Cc1nc(C[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)no1 ZINC000180232681 368373570 /nfs/dbraw/zinc/37/35/70/368373570.db2.gz FWIIQHGFMYCSFX-ZDUSSCGKSA-N 0 0 297.362 2.412 10 30 CEEERN C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000185212273 368768585 /nfs/dbraw/zinc/76/85/85/368768585.db2.gz YVVVAHPEXJCAAI-DZGCQCFKSA-N 0 0 274.364 2.300 10 30 CEEERN C=CC[C@H](C(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000189471393 369521658 /nfs/dbraw/zinc/52/16/58/369521658.db2.gz HRQIJCLFUDBRQJ-CABCVRRESA-N 0 0 296.374 2.069 10 30 CEEERN C=CCC1(C(=O)N2CCN(CCOC)[C@@H](CC)C2)CCC1 ZINC000191889887 369751528 /nfs/dbraw/zinc/75/15/28/369751528.db2.gz PSAMBRCSPUQIPC-HNNXBMFYSA-N 0 0 294.439 2.302 10 30 CEEERN C=CCn1c(C)nnc1SC[C@@H](O)COCCCC ZINC000193360424 369933649 /nfs/dbraw/zinc/93/36/49/369933649.db2.gz DVXCWQVLBOMXLN-LBPRGKRZSA-N 0 0 285.413 2.042 10 30 CEEERN Cc1nc(C[C@@H]2CCCN(C[C@H](C#N)CCC#N)C2)no1 ZINC000195519417 370137057 /nfs/dbraw/zinc/13/70/57/370137057.db2.gz QVKZKJXIAQNGIZ-KBPBESRZSA-N 0 0 287.367 2.076 10 30 CEEERN N#C[C@H](c1ccc(C(F)(F)F)nc1)C1(O)CCOCC1 ZINC000217350965 370194166 /nfs/dbraw/zinc/19/41/66/370194166.db2.gz WWKRODRUGHFWPO-SNVBAGLBSA-N 0 0 286.253 2.249 10 30 CEEERN Cc1cnn(CCNc2nc(Cl)c(C#N)s2)c1 ZINC000227832701 370385215 /nfs/dbraw/zinc/38/52/15/370385215.db2.gz XKUWWNPQJRSQSJ-UHFFFAOYSA-N 0 0 267.745 2.285 10 30 CEEERN Cc1cnc([C@H](C)NC(=O)c2cccc(C#N)c2)o1 ZINC000226615034 370348931 /nfs/dbraw/zinc/34/89/31/370348931.db2.gz MBAZMQMSLWJCBC-JTQLQIEISA-N 0 0 255.277 2.346 10 30 CEEERN N#Cc1ccc(N[C@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000231319279 370476519 /nfs/dbraw/zinc/47/65/19/370476519.db2.gz LSBINMILHAFDKN-YPMHNXCESA-N 0 0 275.308 2.429 10 30 CEEERN N#Cc1nc(NC[C@H]2CCCS2)ccc1[N+](=O)[O-] ZINC000236422058 370588267 /nfs/dbraw/zinc/58/82/67/370588267.db2.gz MSRSNYHTRJXWPC-MRVPVSSYSA-N 0 0 264.310 2.169 10 30 CEEERN C[C@H](CC#N)N(C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000247619441 371129586 /nfs/dbraw/zinc/12/95/86/371129586.db2.gz NCMABVONXXHKNN-IUODEOHRSA-N 0 0 296.798 2.451 10 30 CEEERN CC(C)(C)[C@H](O)CNc1c(C#N)nnc2ccccc21 ZINC000265850019 190212600 /nfs/dbraw/zinc/21/26/00/190212600.db2.gz PRQAPFOGBBYLKG-CYBMUJFWSA-N 0 0 270.336 2.320 10 30 CEEERN COC(=O)Nc1ccc(CNc2nccnc2C#N)cc1 ZINC000301179486 379213486 /nfs/dbraw/zinc/21/34/86/379213486.db2.gz MNHKNPBEBJAKIW-UHFFFAOYSA-N 0 0 283.291 2.139 10 30 CEEERN C[C@@H](CNc1cc(C#N)nc2ccccc21)N1CCOCC1 ZINC000301357381 379266373 /nfs/dbraw/zinc/26/63/73/379266373.db2.gz PBKYEJGPJZJNPD-ZDUSSCGKSA-N 0 0 296.374 2.239 10 30 CEEERN N#Cc1nc(NCc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000302779664 379449809 /nfs/dbraw/zinc/44/98/09/379449809.db2.gz QVUKAZNTNXLVHZ-UHFFFAOYSA-N 0 0 299.246 2.382 10 30 CEEERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)C1=CCCO1 ZINC000405630939 542272879 /nfs/dbraw/zinc/27/28/79/542272879.db2.gz JKBZURKALMKHHF-VIFPVBQESA-N 0 0 255.314 2.163 10 30 CEEERN Cc1cc(CNC(=O)C(=O)Nc2ccccc2C#N)c(C)o1 ZINC000070970748 184571863 /nfs/dbraw/zinc/57/18/63/184571863.db2.gz FJJFVMCXKALWOG-UHFFFAOYSA-N 0 0 297.314 2.023 10 30 CEEERN COC(=O)CCSc1nc2c(cc1C#N)CCC2 ZINC000043408034 184558758 /nfs/dbraw/zinc/55/87/58/184558758.db2.gz URMFYRVBQIVZAX-UHFFFAOYSA-N 0 0 262.334 2.097 10 30 CEEERN CCC[C@@H](C#N)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000044823131 184560492 /nfs/dbraw/zinc/56/04/92/184560492.db2.gz KMSSTRKHECJTGC-LBPRGKRZSA-N 0 0 276.336 2.260 10 30 CEEERN C[C@@H]1CN(Cc2cc(F)cc(C#CCCO)c2)C[C@@H](C)O1 ZINC000093981337 184747932 /nfs/dbraw/zinc/74/79/32/184747932.db2.gz ZJYZGHWOOOGPMY-ZIAGYGMSSA-N 0 0 291.366 2.169 10 30 CEEERN C#CC(C)(C)NS(=O)(=O)c1cccc2cc(N)ccc21 ZINC000094787591 184863750 /nfs/dbraw/zinc/86/37/50/184863750.db2.gz FOJKELKJJUQKEB-UHFFFAOYSA-N 0 0 288.372 2.112 10 30 CEEERN N#Cc1ccc(Cl)c(NC(=O)c2cnns2)c1 ZINC000094820481 184874919 /nfs/dbraw/zinc/87/49/19/184874919.db2.gz GRHOCQHCSVNQCR-UHFFFAOYSA-N 0 0 264.697 2.315 10 30 CEEERN CN(c1ccc(C#N)cc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636464 184831511 /nfs/dbraw/zinc/83/15/11/184831511.db2.gz OOLPQVFBHQMVMQ-CABCVRRESA-N 0 0 292.404 2.350 10 30 CEEERN O=C(C[C@H]1CCCCO1)Nc1ccccc1C#CCCO ZINC000095032725 184919108 /nfs/dbraw/zinc/91/91/08/184919108.db2.gz OGXGCIFSBKDOIM-OAHLLOKOSA-N 0 0 287.359 2.318 10 30 CEEERN CCCc1n[nH]c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000095051572 184925456 /nfs/dbraw/zinc/92/54/56/184925456.db2.gz RORBKBYHTHWVNS-JTQLQIEISA-N 0 0 283.335 2.120 10 30 CEEERN C[C@H](O)c1ccc(N2CCO[C@H](C#N)C2)cc1Cl ZINC000093933127 135082907 /nfs/dbraw/zinc/08/29/07/135082907.db2.gz YTGKMAVFSSQIQR-GXSJLCMTSA-N 0 0 266.728 2.122 10 30 CEEERN Cc1cccc2c(N3CCO[C@H](C#N)C3)ccnc12 ZINC000301669273 394463860 /nfs/dbraw/zinc/46/38/60/394463860.db2.gz NDTGARYRQRHNNY-GFCCVEGCSA-N 0 0 253.305 2.272 10 30 CEEERN C=CCNC(=O)c1ccc(N[C@H]2CCC[C@H](OC)C2)nc1 ZINC000301787504 394466109 /nfs/dbraw/zinc/46/61/09/394466109.db2.gz PYHUEXONEWQVIR-KBPBESRZSA-N 0 0 289.379 2.367 10 30 CEEERN CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1=O ZINC000027085551 394478811 /nfs/dbraw/zinc/47/88/11/394478811.db2.gz TXIKNNOOLCGADE-PAPYEOQZSA-N 0 0 252.354 2.214 10 30 CEEERN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061889675 394569183 /nfs/dbraw/zinc/56/91/83/394569183.db2.gz MPOMWPTYKIHBMY-CHWSQXEVSA-N 0 0 278.377 2.274 10 30 CEEERN CCc1ccc(OCC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000359669950 394769750 /nfs/dbraw/zinc/76/97/50/394769750.db2.gz FMYFNZURJCGPPK-HIFRSBDPSA-N 0 0 272.348 2.436 10 30 CEEERN C[C@@H](NC(=O)NC[C@H](C)C#N)c1ccc(F)c(F)c1 ZINC000182293967 395239300 /nfs/dbraw/zinc/23/93/00/395239300.db2.gz XLOFCCUREPBDCN-RKDXNWHRSA-N 0 0 267.279 2.485 10 30 CEEERN N#Cc1cccc2c1CN(C[C@H]1CCC[C@H](O)C1)C2 ZINC000405064516 395287839 /nfs/dbraw/zinc/28/78/39/395287839.db2.gz VPRRMJCKVHDBIF-WFASDCNBSA-N 0 0 256.349 2.425 10 30 CEEERN C[C@H]1OCCC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000191298119 395354459 /nfs/dbraw/zinc/35/44/59/395354459.db2.gz LEWLZRFGBMTXDT-ZWNOBZJWSA-N 0 0 276.311 2.129 10 30 CEEERN COC(=O)Cc1ccc(OC(F)(F)F)cc1C#N ZINC000575344918 395660280 /nfs/dbraw/zinc/66/02/80/395660280.db2.gz IVQRUETYUMWUJA-UHFFFAOYSA-N 0 0 259.183 2.172 10 30 CEEERN COC(=O)Cc1c(F)cc(C#N)cc1C(F)(F)F ZINC000575345170 395660414 /nfs/dbraw/zinc/66/04/14/395660414.db2.gz ZWHAFNMWRYQEBL-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN CCOC(=O)Cc1ccc(C#N)c(OC)c1Cl ZINC000575382796 395662303 /nfs/dbraw/zinc/66/23/03/395662303.db2.gz QGGUAXDTXVXCAT-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)Cc1cc(Cl)cc(C#N)c1[N+](=O)[O-] ZINC000575382962 395662532 /nfs/dbraw/zinc/66/25/32/395662532.db2.gz YXJKCGCHYRUBGY-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1ccc(C#N)c(C=O)c1OC(F)F ZINC000575385716 395662793 /nfs/dbraw/zinc/66/27/93/395662793.db2.gz GTPMVAWEGQMDSV-UHFFFAOYSA-N 0 0 283.230 2.078 10 30 CEEERN CCOC(=O)c1c(F)ccc(C#N)c1OC(F)F ZINC000575385647 395662803 /nfs/dbraw/zinc/66/28/03/395662803.db2.gz AKTAXTHIQKUDMI-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCc1c(CC(=O)OC)ccc(C#N)c1OC(F)F ZINC000575385356 395662837 /nfs/dbraw/zinc/66/28/37/395662837.db2.gz MHFGCMZOUCRSRN-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCc1cc(OC(F)F)cc(CC(=O)OC)c1C#N ZINC000575385439 395662861 /nfs/dbraw/zinc/66/28/61/395662861.db2.gz QVVRWCUWAVCAIB-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(F)c1OC(F)F ZINC000575385682 395662877 /nfs/dbraw/zinc/66/28/77/395662877.db2.gz DKDOLWLIGYTYOO-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)cc(C#N)c1F ZINC000575385836 395662906 /nfs/dbraw/zinc/66/29/06/395662906.db2.gz OWMDLXSNTLDBCF-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1cc(C#N)c(C=O)c(OC(F)F)c1 ZINC000575385951 395662934 /nfs/dbraw/zinc/66/29/34/395662934.db2.gz PLFVPEVLFBICFF-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)Cc1cc(C#N)cc(C=O)c1OC(F)F ZINC000575385805 395662944 /nfs/dbraw/zinc/66/29/44/395662944.db2.gz MSNJIKDPCVBAMU-UHFFFAOYSA-N 0 0 283.230 2.078 10 30 CEEERN CCOC(=O)Cc1cc(F)c(C#N)c(OC(F)F)c1 ZINC000575385963 395662973 /nfs/dbraw/zinc/66/29/73/395662973.db2.gz QHHWZWARVKJKEA-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(C(F)F)c1C=O ZINC000575387480 395663201 /nfs/dbraw/zinc/66/32/01/395663201.db2.gz JJYBKSRYGLGIEB-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)c1ccc([N+](=O)[O-])c(OC(F)F)c1C#N ZINC000575387251 395663247 /nfs/dbraw/zinc/66/32/47/395663247.db2.gz FVGBLIJGCNZDJF-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN COC(=O)Cc1cc(C)cc(OC(F)F)c1C#N ZINC000575388519 395663606 /nfs/dbraw/zinc/66/36/06/395663606.db2.gz XGOITRIFIWZNKP-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)c1c(C#N)ccc(OC)c1OC(F)F ZINC000575388220 395663634 /nfs/dbraw/zinc/66/36/34/395663634.db2.gz AKTLBKVZPPTYRE-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN CCOC(=O)Cc1cc(OC(F)F)c(OC)cc1C#N ZINC000575388644 395663835 /nfs/dbraw/zinc/66/38/35/395663835.db2.gz PNBNROSJNNKDCT-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN C#C[C@@H](NC)c1sccc1I ZINC000306205139 400331879 /nfs/dbraw/zinc/33/18/79/400331879.db2.gz RMLUIUASAHPJQQ-SSDOTTSWSA-N 0 0 277.130 2.246 10 30 CEEERN CC(C)(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302756068 154191369 /nfs/dbraw/zinc/19/13/69/154191369.db2.gz WRNHUSOTXWPKOB-SECBINFHSA-N 0 0 278.312 2.070 10 30 CEEERN N#Cc1c[nH]c(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000175120469 165127550 /nfs/dbraw/zinc/12/75/50/165127550.db2.gz MLQVKOHYRQRQDN-GFCCVEGCSA-N 0 0 267.288 2.140 10 30 CEEERN COc1ccc(NN=C(C(C)=O)N2CCCCC2)cc1 ZINC000005377886 170091033 /nfs/dbraw/zinc/09/10/33/170091033.db2.gz KLWNFEYHOZDBDJ-BMRADRMJSA-N 0 0 275.352 2.496 10 30 CEEERN COCCNC(=S)N/N=C(\C)c1ccc(Cl)s1 ZINC000005754805 170136999 /nfs/dbraw/zinc/13/69/99/170136999.db2.gz IOFBXLYIPBXVPU-NTUHNPAUSA-N 0 0 291.829 2.236 10 30 CEEERN COc1ccc([S@@](=O)c2cccc(N)c2C#N)cc1 ZINC000005854232 170146998 /nfs/dbraw/zinc/14/69/98/170146998.db2.gz AATAIRNDADQFCI-IBGZPJMESA-N 0 0 272.329 2.316 10 30 CEEERN CCOC(=O)/C(=N\Nc1ccccc1)N(CC)CC ZINC000006937408 170256527 /nfs/dbraw/zinc/25/65/27/170256527.db2.gz CREJIOBSCRATJU-DTQAZKPQSA-N 0 0 263.341 2.317 10 30 CEEERN COc1ccc(Cl)cc1N1C[C@@H](C#N)CC1=O ZINC000011894293 170455941 /nfs/dbraw/zinc/45/59/41/170455941.db2.gz UFELHJKDOUANFA-MRVPVSSYSA-N 0 0 250.685 2.225 10 30 CEEERN N=C(N=NC1CCC(c2ccccc2)CC1)c1nonc1N ZINC000017024542 170723300 /nfs/dbraw/zinc/72/33/00/170723300.db2.gz MFOSSNOYNMYLBM-UHFFFAOYSA-N 0 0 298.350 2.071 10 30 CEEERN C=CCNC(=O)[C@@H](C)Oc1c(C)cc(C=O)cc1C ZINC000020360687 171159717 /nfs/dbraw/zinc/15/97/17/171159717.db2.gz QDVUJNZXOABMRS-GFCCVEGCSA-N 0 0 261.321 2.185 10 30 CEEERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000021188293 171299417 /nfs/dbraw/zinc/29/94/17/171299417.db2.gz DQNKSIJOLPZPHE-LLVKDONJSA-N 0 0 290.344 2.499 10 30 CEEERN C#CC[C@]1(O)c2ccccc2N(Cc2ccccc2)C1=O ZINC000034548232 171843954 /nfs/dbraw/zinc/84/39/54/171843954.db2.gz ZVIVUYIULXFPAL-SFHVURJKSA-N 0 0 277.323 2.444 10 30 CEEERN C[C@H](C1CC1)N(C)S(=O)(=O)Cc1ccccc1C#N ZINC000035207487 172051739 /nfs/dbraw/zinc/05/17/39/172051739.db2.gz RPJBVNSDWIIJBY-LLVKDONJSA-N 0 0 278.377 2.118 10 30 CEEERN Cc1ccc(C=NN2C(=S)N=NC2C(C)C)o1 ZINC000035456221 172207050 /nfs/dbraw/zinc/20/70/50/172207050.db2.gz JBQGPTHEHPMYOL-SDQBBNPISA-N 0 0 250.327 2.474 10 30 CEEERN COC(=O)[C@@H]1C[C@H](C#N)[C@H](c2cccc(Cl)c2)N1 ZINC000036383402 172627785 /nfs/dbraw/zinc/62/77/85/172627785.db2.gz KGSXCTBYKMQVMH-USWWRNFRSA-N 0 0 264.712 2.056 10 30 CEEERN N#C[C@H](c1ccc(F)c(Br)c1)N1CCOCC1 ZINC000037357265 173147483 /nfs/dbraw/zinc/14/74/83/173147483.db2.gz CVWYWNINVNPQQV-GFCCVEGCSA-N 0 0 299.143 2.485 10 30 CEEERN CCCN[C@@H](C#N)c1c(OC)cc(OC)cc1OC ZINC000037376766 173165004 /nfs/dbraw/zinc/16/50/04/173165004.db2.gz XFZLMGHALLJLFQ-NSHDSACASA-N 0 0 264.325 2.277 10 30 CEEERN CSCCC(=O)Nc1cc(C#CCO)ccc1C ZINC000037549244 173266480 /nfs/dbraw/zinc/26/64/80/173266480.db2.gz BLZBVXQBDNVSJU-UHFFFAOYSA-N 0 0 263.362 2.030 10 30 CEEERN CCC=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000038176142 174135735 /nfs/dbraw/zinc/13/57/35/174135735.db2.gz GFUVNGJSSAEZHW-VBMJPKKGSA-N 0 0 250.214 2.477 10 30 CEEERN N#CC1(NS(=O)(=O)c2ccccc2Cl)CCCC1 ZINC000040215434 174204428 /nfs/dbraw/zinc/20/44/28/174204428.db2.gz FQPHACBAWFISNW-UHFFFAOYSA-N 0 0 284.768 2.455 10 30 CEEERN N#C[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000040216553 174205523 /nfs/dbraw/zinc/20/55/23/174205523.db2.gz VESFWBYPIDLLAR-NSHDSACASA-N 0 0 278.358 2.291 10 30 CEEERN N#CC1(NC(=O)[C@H]2CCCO2)CCCCCCC1 ZINC000040221977 174207026 /nfs/dbraw/zinc/20/70/26/174207026.db2.gz JUXDSCGBAZDCTP-GFCCVEGCSA-N 0 0 250.342 2.288 10 30 CEEERN CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)NC(C)C ZINC000042271972 174671752 /nfs/dbraw/zinc/67/17/52/174671752.db2.gz UTKGVTGXYNVRJX-NSHDSACASA-N 0 0 276.336 2.249 10 30 CEEERN N#CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042359413 174696161 /nfs/dbraw/zinc/69/61/61/174696161.db2.gz IPOWUZQCYZGFOX-UHFFFAOYSA-N 0 0 259.265 2.113 10 30 CEEERN CCOC(=O)c1ccc(N(CC)C[C@@H](C)C#N)nc1 ZINC000042449993 174742890 /nfs/dbraw/zinc/74/28/90/174742890.db2.gz FFYCIXNJJKQIFZ-NSHDSACASA-N 0 0 261.325 2.244 10 30 CEEERN C[C@@H]1CN(Cc2ccc(C#CCCO)s2)C[C@@H](C)O1 ZINC000043678863 175089487 /nfs/dbraw/zinc/08/94/87/175089487.db2.gz WLBHTRHLWRXXLP-CHWSQXEVSA-N 0 0 279.405 2.091 10 30 CEEERN CCN(Cc1cc(C#CCO)cs1)C[C@@H](C)C#N ZINC000043698686 175097061 /nfs/dbraw/zinc/09/70/61/175097061.db2.gz ZENZEOSNRUZHJA-LBPRGKRZSA-N 0 0 262.378 2.073 10 30 CEEERN CC1(C)COCCN1C(=O)C1(C#N)CCCCCC1 ZINC000044766255 175249354 /nfs/dbraw/zinc/24/93/54/175249354.db2.gz JOBUABURTZSQMK-UHFFFAOYSA-N 0 0 264.369 2.488 10 30 CEEERN COC(=O)CN(C(=O)C1(C#N)CCCCCC1)C(C)C ZINC000044767198 175249787 /nfs/dbraw/zinc/24/97/87/175249787.db2.gz AURUCCLZDKRHIJ-UHFFFAOYSA-N 0 0 280.368 2.261 10 30 CEEERN CCOC(=O)[C@@H]1CCCN1C(=O)C1(C#N)CCCCCC1 ZINC000044767214 175249940 /nfs/dbraw/zinc/24/99/40/175249940.db2.gz OFWNGBFWODHYHP-ZDUSSCGKSA-N 0 0 292.379 2.405 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1CCO[C@H](C)C1 ZINC000044808944 175257316 /nfs/dbraw/zinc/25/73/16/175257316.db2.gz RNYWFGKZEXDFQN-GFCCVEGCSA-N 0 0 252.358 2.344 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N(CC)CC(=O)NCC ZINC000044826212 175259406 /nfs/dbraw/zinc/25/94/06/175259406.db2.gz KIQDMBWQTWNDNZ-UHFFFAOYSA-N 0 0 281.400 2.081 10 30 CEEERN CCCO[C@@H]1CCCN(C(=O)[C@@H](C#N)CCC)C1 ZINC000044826352 175260155 /nfs/dbraw/zinc/26/01/55/175260155.db2.gz BGTGMOPDCIMONZ-CHWSQXEVSA-N 0 0 252.358 2.344 10 30 CEEERN CN(CC(C)(C)C)C(=O)c1ccc(C#CCO)cc1 ZINC000045091788 175305630 /nfs/dbraw/zinc/30/56/30/175305630.db2.gz WDCFQNYMWZNWLY-UHFFFAOYSA-N 0 0 259.349 2.149 10 30 CEEERN CCCN(CC#N)C(=O)c1cc(Cl)ccc1O ZINC000045092352 175306300 /nfs/dbraw/zinc/30/63/00/175306300.db2.gz HTEWILZGAKZMCZ-UHFFFAOYSA-N 0 0 252.701 2.421 10 30 CEEERN CC(C)(Nc1ccc(C#N)c(C(F)(F)F)c1)C(N)=O ZINC000045109554 175309460 /nfs/dbraw/zinc/30/94/60/175309460.db2.gz RWMILLQJYMOQKF-UHFFFAOYSA-N 0 0 271.242 2.253 10 30 CEEERN COCCN(C[C@@](N)(C#N)c1ccccc1)[C@@H](C)C1CC1 ZINC000045182581 175325480 /nfs/dbraw/zinc/32/54/80/175325480.db2.gz WZLAFBZTLUSZCM-YOEHRIQHSA-N 0 0 287.407 2.111 10 30 CEEERN CCCN[C@@](C)(C#N)COc1ccc2c(c1)CCC(=O)N2 ZINC000045209825 175328659 /nfs/dbraw/zinc/32/86/59/175328659.db2.gz QYUXNZSLQOKUIB-INIZCTEOSA-N 0 0 287.363 2.232 10 30 CEEERN CN[C@](C#N)(CSc1ncccn1)c1ccccc1 ZINC000045219521 175329857 /nfs/dbraw/zinc/32/98/57/175329857.db2.gz LLEUREJRBUBBFK-CQSZACIVSA-N 0 0 270.361 2.207 10 30 CEEERN Cc1cnc(SC[C@](N)(C#N)c2ccccc2)nc1 ZINC000045220957 175330100 /nfs/dbraw/zinc/33/01/00/175330100.db2.gz ZLWFPTQGNKBFKH-CQSZACIVSA-N 0 0 270.361 2.255 10 30 CEEERN 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CCN(C[C@H](C)C#N)C(=O)c1ccc2c[nH]nc2c1 ZINC000061670414 521236901 /nfs/dbraw/zinc/23/69/01/521236901.db2.gz VYORWVKVGHIANA-SNVBAGLBSA-N 0 0 256.309 2.185 10 30 CEEERN CCOc1ccc2[nH]c(SCC[C@H](N)C#N)nc2c1 ZINC000062452907 521308659 /nfs/dbraw/zinc/30/86/59/521308659.db2.gz QWIZHRYVQKTJOW-VIFPVBQESA-N 0 0 276.365 2.295 10 30 CEEERN CCOc1nc(Cl)nc(N(CCC#N)CC(C)C)n1 ZINC000061517109 521602774 /nfs/dbraw/zinc/60/27/74/521602774.db2.gz DYWRUCWFZWIJPL-UHFFFAOYSA-N 0 0 283.763 2.300 10 30 CEEERN CC[C@H](C)[C@@H](C)NS(=O)(=O)Cc1ccccc1C#N ZINC000048801676 521822306 /nfs/dbraw/zinc/82/23/06/521822306.db2.gz PGXXAZSRXJBJSW-NWDGAFQWSA-N 0 0 280.393 2.412 10 30 CEEERN CN(C)c1nc(Cl)nc(Nc2cccc(C#N)c2)n1 ZINC000061534726 522324715 /nfs/dbraw/zinc/32/47/15/522324715.db2.gz DPDHVTSBSFIPDG-UHFFFAOYSA-N 0 0 274.715 2.206 10 30 CEEERN COc1cc(CO)c([N+](=O)[O-])cc1OCCCCC#N ZINC000049578721 522498011 /nfs/dbraw/zinc/49/80/11/522498011.db2.gz WNRQYQLYTLUTMI-UHFFFAOYSA-N 0 0 280.280 2.168 10 30 CEEERN CN[C@](C)(C#N)CCCn1nc(C)c(Cl)c1C ZINC000050588022 522512048 /nfs/dbraw/zinc/51/20/48/522512048.db2.gz PIGFLIWBXXNBNB-LBPRGKRZSA-N 0 0 254.765 2.435 10 30 CEEERN CNc1cc(C(=O)Nc2ccc(C#N)cc2)ccn1 ZINC000050742340 522560706 /nfs/dbraw/zinc/56/07/06/522560706.db2.gz DGJQGMHKDWFMPA-UHFFFAOYSA-N 0 0 252.277 2.247 10 30 CEEERN CNc1ccc(Cl)c(CN(C)C[C@@H](C)C#N)n1 ZINC000061638307 522620479 /nfs/dbraw/zinc/62/04/79/522620479.db2.gz DFSPPZFYBRRHMM-VIFPVBQESA-N 0 0 252.749 2.368 10 30 CEEERN CCn1c(S[C@@H]2C[C@H](C)CC[C@@H]2C#N)n[nH]c1=O ZINC000061595370 523244351 /nfs/dbraw/zinc/24/43/51/523244351.db2.gz LCNZQQGUQUEUMX-OPRDCNLKSA-N 0 0 266.370 2.012 10 30 CEEERN CC[C@@H]1COCCN1c1ccc(Cl)cc1/C(N)=N/O ZINC000052860569 523501556 /nfs/dbraw/zinc/50/15/56/523501556.db2.gz SXURDNMVOCUKIM-SNVBAGLBSA-N 0 0 283.759 2.050 10 30 CEEERN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614740 523512437 /nfs/dbraw/zinc/51/24/37/523512437.db2.gz PDCASCUPQFLUKQ-YUELXQCFSA-N 0 0 272.348 2.320 10 30 CEEERN COc1ccc(C)cc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061888464 523802488 /nfs/dbraw/zinc/80/24/88/523802488.db2.gz JELSSCMJGAXXCM-YPMHNXCESA-N 0 0 258.321 2.426 10 30 CEEERN Cc1cccc(C(=O)N(C)[C@@H](C)CC#N)c1[N+](=O)[O-] ZINC000063094102 524162143 /nfs/dbraw/zinc/16/21/43/524162143.db2.gz OUYCILONLJTVNJ-JTQLQIEISA-N 0 0 261.281 2.277 10 30 CEEERN C[C@@H](CC#N)N(C)c1nc2ccccc2cc1CO ZINC000063087239 524338265 /nfs/dbraw/zinc/33/82/65/524338265.db2.gz PIMFQUVIOWMNHS-NSHDSACASA-N 0 0 255.321 2.465 10 30 CEEERN COc1ccccc1[C@H](C#N)C(=O)[C@@H]1CCCCO1 ZINC000050963886 524767451 /nfs/dbraw/zinc/76/74/51/524767451.db2.gz PKFMSZADMJNTKR-JSGCOSHPSA-N 0 0 259.305 2.441 10 30 CEEERN C[C@@H](C[C@@](C)(N)C#N)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC000068623632 524848918 /nfs/dbraw/zinc/84/89/18/524848918.db2.gz RICUNYOKBCNJRU-JVXZTZIISA-N 0 0 285.250 2.271 10 30 CEEERN C[C@@H](C[C@](C)(N)C#N)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC000068623629 524861327 /nfs/dbraw/zinc/86/13/27/524861327.db2.gz RICUNYOKBCNJRU-MADCSZMMSA-N 0 0 285.250 2.271 10 30 CEEERN COc1ncccc1C(=O)NC1(C#N)CCC(C)CC1 ZINC000061444543 525037015 /nfs/dbraw/zinc/03/70/15/525037015.db2.gz WHYWZJQQVSQFRF-UHFFFAOYSA-N 0 0 273.336 2.292 10 30 CEEERN CS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2C#N)cc1 ZINC000054823822 525258811 /nfs/dbraw/zinc/25/88/11/525258811.db2.gz RQGAIKOLKZWPPY-GWCFXTLKSA-N 0 0 264.350 2.194 10 30 CEEERN CSCCCNC(=O)c1cc(F)ccc1C#CCCO ZINC000069461498 525474086 /nfs/dbraw/zinc/47/40/86/525474086.db2.gz DNBWJQZVMAEMNC-UHFFFAOYSA-N 0 0 295.379 2.043 10 30 CEEERN COc1cccc(OC)c1OCC[C@@H](C#N)NC(C)C ZINC000062444632 526223982 /nfs/dbraw/zinc/22/39/82/526223982.db2.gz CQXMLEVARZJRBA-LBPRGKRZSA-N 0 0 278.352 2.363 10 30 CEEERN C[C@@H](C#N)CN(C)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050707325 526235088 /nfs/dbraw/zinc/23/50/88/526235088.db2.gz KRBNXLZDLHEBAS-ZETCQYMHSA-N 0 0 296.714 2.062 10 30 CEEERN Cc1nn(C[C@](C)(C#N)NC2CC2)c(C)c1Br ZINC000050594739 526286045 /nfs/dbraw/zinc/28/60/45/526286045.db2.gz DSZMICFRISMNIX-LBPRGKRZSA-N 0 0 297.200 2.297 10 30 CEEERN Cc1nn(C[C@](C)(C#N)NC2CC2)c(C)c1Cl ZINC000050587967 526286181 /nfs/dbraw/zinc/28/61/81/526286181.db2.gz KAKLNGRHXRNQFV-LBPRGKRZSA-N 0 0 252.749 2.188 10 30 CEEERN N#CCCN(C(=O)CC[C@@H]1CCCCO1)C1CC1 ZINC000069393951 526447683 /nfs/dbraw/zinc/44/76/83/526447683.db2.gz NCFSTIXHIMCJDE-ZDUSSCGKSA-N 0 0 250.342 2.240 10 30 CEEERN N#CCCN(C(=O)c1ccc(Br)cn1)C1CC1 ZINC000061862913 526453662 /nfs/dbraw/zinc/45/36/62/526453662.db2.gz AEZFHZFOHGETNS-UHFFFAOYSA-N 0 0 294.152 2.362 10 30 CEEERN N#C[C@@H]1CCCC[C@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595416 526499989 /nfs/dbraw/zinc/49/99/89/526499989.db2.gz WAPIPMILCRMNJP-WCBMZHEXSA-N 0 0 264.354 2.081 10 30 CEEERN N#Cc1cc(CNCc2ccccc2[N+](=O)[O-])ccn1 ZINC000068754701 526550212 /nfs/dbraw/zinc/55/02/12/526550212.db2.gz XIVSQEVDQMBRCK-UHFFFAOYSA-N 0 0 268.276 2.151 10 30 CEEERN O=C(CC[C@H]1CCCCO1)Nc1ccc(C#CCO)cc1 ZINC000069399414 526568880 /nfs/dbraw/zinc/56/88/80/526568880.db2.gz QCRCPAAWSFCGSI-MRXNPFEDSA-N 0 0 287.359 2.318 10 30 CEEERN N#Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(F)c1 ZINC000070139608 526609285 /nfs/dbraw/zinc/60/92/85/526609285.db2.gz YNCPHAYPDXHVHS-CHWSQXEVSA-N 0 0 286.306 2.373 10 30 CEEERN N#Cc1cccc(Oc2nc(Cl)nc(-n3ccnc3)n2)c1 ZINC000061520729 526729216 /nfs/dbraw/zinc/72/92/16/526729216.db2.gz BPWWKTAJHXQFMV-UHFFFAOYSA-N 0 0 298.693 2.375 10 30 CEEERN N#Cc1ccccc1CS(=O)(=O)N1Cc2ccccc2C1 ZINC000050912544 526738963 /nfs/dbraw/zinc/73/89/63/526738963.db2.gz ZGFLIMZDOIGMHQ-UHFFFAOYSA-N 0 0 298.367 2.404 10 30 CEEERN N#Cc1ccccc1NC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050698840 526742855 /nfs/dbraw/zinc/74/28/55/526742855.db2.gz NMXZTORNXDKGTQ-UHFFFAOYSA-N 0 0 282.259 2.301 10 30 CEEERN N#Cc1ncccc1COC(=O)c1cc(N)ccc1F ZINC000061663913 526789569 /nfs/dbraw/zinc/78/95/69/526789569.db2.gz DLYYLIAQWKJFAU-UHFFFAOYSA-N 0 0 271.251 2.032 10 30 CEEERN N#Cc1ncccc1Cn1ccnc1-c1ccc(N)cc1 ZINC000061659109 526792146 /nfs/dbraw/zinc/79/21/46/526792146.db2.gz JDOHNLDFNUDHLM-UHFFFAOYSA-N 0 0 275.315 2.447 10 30 CEEERN N/C(=N/O)c1nccnc1Sc1ccccc1Cl ZINC000054396282 526803295 /nfs/dbraw/zinc/80/32/95/526803295.db2.gz SONJFIRIYLQVDT-UHFFFAOYSA-N 0 0 280.740 2.376 10 30 CEEERN Cc1nc(N)sc1C(=O)Nc1cc(C#N)ccc1C ZINC000055176126 526958197 /nfs/dbraw/zinc/95/81/97/526958197.db2.gz HOFFKWRBHNKEMZ-UHFFFAOYSA-N 0 0 272.333 2.466 10 30 CEEERN CC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000334639413 527037541 /nfs/dbraw/zinc/03/75/41/527037541.db2.gz FSAVGVFVODQBCY-TZMCWYRMSA-N 0 0 271.320 2.067 10 30 CEEERN Cc1ncc(N)cc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000051634715 527288728 /nfs/dbraw/zinc/28/87/28/527288728.db2.gz JJDXZOYOEFWGRF-UHFFFAOYSA-N 0 0 270.267 2.235 10 30 CEEERN Cc1cccc(N2CCC[C@@H](C(=O)CC#N)C2=O)c1F ZINC000536951110 566980699 /nfs/dbraw/zinc/98/06/99/566980699.db2.gz ORRNFKKRXSGOTI-NSHDSACASA-N 0 0 274.295 2.360 10 30 CEEERN Cc1cc(C)c(C#N)c(NC[C@H]2CCO[C@@H]2c2cn[nH]c2)n1 ZINC000888078034 624705447 /nfs/dbraw/zinc/70/54/47/624705447.db2.gz DNGUKIZTEIDTFM-DOMZBBRYSA-N 0 0 297.362 2.483 10 30 CEEERN C[C@H](NC(=O)c1coc(C2CCOCC2)n1)[C@H]1CCCO1 ZINC000328827543 628026539 /nfs/dbraw/zinc/02/65/39/628026539.db2.gz TXBAKYQUAPSGNY-GXFFZTMASA-N 0 0 294.351 2.441 10 30 CEEERN O=C(N[C@H]1CCc2ccccc21)N1CCn2ccnc2C1 ZINC000329859435 628374313 /nfs/dbraw/zinc/37/43/13/628374313.db2.gz WRLLWWIFNSLMPF-AWEZNQCLSA-N 0 0 282.347 2.300 10 30 CEEERN CCCCCCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000195425437 628533317 /nfs/dbraw/zinc/53/33/17/628533317.db2.gz HUJGMSUPEVQQAT-ZIAGYGMSSA-N 0 0 291.457 2.427 10 30 CEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1nc(C)c(C)[nH]1 ZINC000896910814 630793072 /nfs/dbraw/zinc/79/30/72/630793072.db2.gz YTDONUYATVKHJM-JSGCOSHPSA-N 0 0 277.368 2.014 10 30 CEEERN CC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000179237099 631664830 /nfs/dbraw/zinc/66/48/30/631664830.db2.gz PTUPNRUBPNCYET-RYUDHWBXSA-N 0 0 297.399 2.344 10 30 CEEERN N#Cc1c(N)[nH]c(Br)c1-c1ccccn1 ZINC000757170471 631829059 /nfs/dbraw/zinc/82/90/59/631829059.db2.gz HPVODMMVLITDQC-UHFFFAOYSA-N 0 0 263.098 2.293 10 30 CEEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)cc1OC ZINC000233946430 641347774 /nfs/dbraw/zinc/34/77/74/641347774.db2.gz JSIVYLZBSIDVRY-AAEUAGOBSA-N 0 0 274.320 2.320 10 30 CEEERN C#CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000069200003 641509096 /nfs/dbraw/zinc/50/90/96/641509096.db2.gz LYGIBMGTXGPXNH-JSGCOSHPSA-N 0 0 273.332 2.008 10 30 CEEERN CC(=O)c1cc(CNC(=O)OC(C)(C)C)cc(C#N)n1 ZINC000095766966 185027019 /nfs/dbraw/zinc/02/70/19/185027019.db2.gz RIZXWDMZBJOYJM-UHFFFAOYSA-N 0 0 275.308 2.181 10 30 CEEERN CC(C)(C)OC(=O)NCc1cc(C#N)cc(C=O)c1 ZINC000095764626 185027479 /nfs/dbraw/zinc/02/74/79/185027479.db2.gz FOJAYFPLGPZARG-UHFFFAOYSA-N 0 0 260.293 2.395 10 30 CEEERN Cc1nc2n(n1)CCC[C@H]2Nc1ncc(C#N)cc1Cl ZINC000081014661 282107627 /nfs/dbraw/zinc/10/76/27/282107627.db2.gz IFOSPPGJDIEKKH-LLVKDONJSA-N 0 0 288.742 2.454 10 30 CEEERN C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCCN2 ZINC000034955515 361798812 /nfs/dbraw/zinc/79/88/12/361798812.db2.gz WICVOBDDHIVICX-UHFFFAOYSA-N 0 0 292.404 2.407 10 30 CEEERN COC(=O)C(C#N)=NNc1ccc(Cl)cc1Cl ZINC000033960824 361785527 /nfs/dbraw/zinc/78/55/27/361785527.db2.gz KGKDTZLXYBLINI-DHDCSXOGSA-N 0 0 272.091 2.458 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000124997686 365665243 /nfs/dbraw/zinc/66/52/43/365665243.db2.gz GXOJEANCHMXOBH-VXGBXAGGSA-N 0 0 258.321 2.116 10 30 CEEERN C[C@H](C#N)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000125187999 365668567 /nfs/dbraw/zinc/66/85/67/365668567.db2.gz WEBYZBKFIANANJ-LLVKDONJSA-N 0 0 295.383 2.052 10 30 CEEERN Cc1ncsc1C(=O)Nc1ccc(C#N)cc1N ZINC000096601359 185108012 /nfs/dbraw/zinc/10/80/12/185108012.db2.gz CLBFCOOUCMAJPR-UHFFFAOYSA-N 0 0 258.306 2.158 10 30 CEEERN C=CCN(CC(=O)Nc1cccc(Cl)c1)C(C)=O ZINC000096775032 185112477 /nfs/dbraw/zinc/11/24/77/185112477.db2.gz SXYQSEQHCPCPQB-UHFFFAOYSA-N 0 0 266.728 2.313 10 30 CEEERN CC(=O)CN=C1NC(=Nc2ccc(F)cc2)S1 ZINC000006363225 343356383 /nfs/dbraw/zinc/35/63/83/343356383.db2.gz GQAQZBJHGDOMIP-UHFFFAOYSA-N 0 0 251.286 2.095 10 30 CEEERN C=CCN1c2cc(NC(=O)CC)ccc2O[C@H](C)C1=O ZINC000012295891 136378752 /nfs/dbraw/zinc/37/87/52/136378752.db2.gz OMVRSNJMDVMWNB-SNVBAGLBSA-N 0 0 274.320 2.335 10 30 CEEERN CN1CCN([C@@H]2CCc3ccc(Cl)cc32)C[C@@H]1C#N ZINC000336462140 282962487 /nfs/dbraw/zinc/96/24/87/282962487.db2.gz OCRZJWKCAUVNAB-DZGCQCFKSA-N 0 0 275.783 2.467 10 30 CEEERN N#Cc1ccc(N[C@H](CO)c2ccc(Cl)cc2)nn1 ZINC000092961283 344207776 /nfs/dbraw/zinc/20/77/76/344207776.db2.gz HVFLPICEAPBLPQ-GFCCVEGCSA-N 0 0 274.711 2.147 10 30 CEEERN C=C(C)C(=O)O[C@H](CC(C)C)C(F)(F)C(=O)OC ZINC000114791999 344280867 /nfs/dbraw/zinc/28/08/67/344280867.db2.gz YRUZXKHJBFINDY-SECBINFHSA-N 0 0 264.268 2.329 10 30 CEEERN C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000118159276 344290963 /nfs/dbraw/zinc/29/09/63/344290963.db2.gz KAGHMKRSAXYDGP-NEPJUHHUSA-N 0 0 295.383 2.004 10 30 CEEERN N#C[C@@H](N)c1ncc(Br)cc1Br ZINC000129869586 344347672 /nfs/dbraw/zinc/34/76/72/344347672.db2.gz SDGYTOBATLLUEE-ZCFIWIBFSA-N 0 0 290.946 2.130 10 30 CEEERN C#CCN(C)Cc1cc(N)ccc1Br ZINC000130346825 344351941 /nfs/dbraw/zinc/35/19/41/344351941.db2.gz BJCQDTWXEOIRTC-UHFFFAOYSA-N 0 0 253.143 2.096 10 30 CEEERN CC(C)c1nc([C@H]2CCCN2c2ccc(C#N)nn2)no1 ZINC000123476601 344310403 /nfs/dbraw/zinc/31/04/03/344310403.db2.gz VJSVBCAKWJMLOH-LLVKDONJSA-N 0 0 284.323 2.196 10 30 CEEERN C[C@@H]1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1 ZINC000144306072 344407307 /nfs/dbraw/zinc/40/73/07/344407307.db2.gz LCVAMCWKYDWEFZ-CQSZACIVSA-N 0 0 292.338 2.233 10 30 CEEERN N#Cc1cc(OCc2cc(F)cc(F)c2)c[n+]([O-])c1 ZINC000144876839 344408224 /nfs/dbraw/zinc/40/82/24/344408224.db2.gz BMYJZWWKUPNCNN-UHFFFAOYSA-N 0 0 262.215 2.049 10 30 CEEERN C=CCOc1ccc(I)nc1 ZINC000165344747 344474419 /nfs/dbraw/zinc/47/44/19/344474419.db2.gz SLZSXPCRDLXJBD-UHFFFAOYSA-N 0 0 261.062 2.251 10 30 CEEERN CC(C)(C)OC(=O)NC[C@@H](C#N)NCc1ccccc1 ZINC000226216531 344548584 /nfs/dbraw/zinc/54/85/84/344548584.db2.gz JZELMWYUYIXEHT-CYBMUJFWSA-N 0 0 275.352 2.193 10 30 CEEERN N/C(=N\O)c1cc(Br)c(Cl)s1 ZINC000227915783 344557714 /nfs/dbraw/zinc/55/77/14/344557714.db2.gz KRRSCQHMXDEOAI-UHFFFAOYSA-N 0 0 255.524 2.259 10 30 CEEERN C#C[C@H](NN)c1cc(Cl)ccc1Br ZINC000236204226 344594691 /nfs/dbraw/zinc/59/46/91/344594691.db2.gz CSWHJPWNLPLJNA-VIFPVBQESA-N 0 0 259.534 2.240 10 30 CEEERN C#CC[C@@H](NN)c1cccc(Br)c1F ZINC000236284027 344595028 /nfs/dbraw/zinc/59/50/28/344595028.db2.gz OKNWGBXKPFOVEA-SECBINFHSA-N 0 0 257.106 2.116 10 30 CEEERN Cc1ccc(S(=O)(=O)OCCOCC(C)C)cc1 ZINC000232668823 344578594 /nfs/dbraw/zinc/57/85/94/344578594.db2.gz YITUKYFDNJAPGG-UHFFFAOYSA-N 0 0 272.366 2.373 10 30 CEEERN CCOC(=O)c1cccc(C#N)c1Br ZINC000238265606 344606066 /nfs/dbraw/zinc/60/60/66/344606066.db2.gz DIUBUBDZXXEYIU-UHFFFAOYSA-N 0 0 254.083 2.497 10 30 CEEERN N#CCc1c(F)cccc1I ZINC000238547858 344606634 /nfs/dbraw/zinc/60/66/34/344606634.db2.gz MHDLSFWICUNUHY-UHFFFAOYSA-N 0 0 261.037 2.496 10 30 CEEERN N#Cc1cc(Br)c([O-])c([C@@H]2CCC[NH2+]2)c1 ZINC000308773817 344728574 /nfs/dbraw/zinc/72/85/74/344728574.db2.gz SFIKEDCLNJYKGN-JTQLQIEISA-N 0 0 267.126 2.451 10 30 CEEERN CCCCOC[C@@H](O)CNc1cccc(CC#N)c1 ZINC000313480008 344742771 /nfs/dbraw/zinc/74/27/71/344742771.db2.gz OLIVLHPUEVDOQW-HNNXBMFYSA-N 0 0 262.353 2.342 10 30 CEEERN C#C[C@H](Nc1nnc(Br)s1)C(C)C ZINC000300913625 344702074 /nfs/dbraw/zinc/70/20/74/344702074.db2.gz MCNKJEBLJFZGKR-LURJTMIESA-N 0 0 260.160 2.370 10 30 CEEERN N#C[C@@]1(c2ccc(Br)cn2)CCOC1 ZINC000306231947 344712618 /nfs/dbraw/zinc/71/26/18/344712618.db2.gz JZCHESNEEFCXJD-JTQLQIEISA-N 0 0 253.099 2.026 10 30 CEEERN CC(C)[C@H](C#N)C(=O)c1cnn(C)c1Br ZINC000306598421 344715012 /nfs/dbraw/zinc/71/50/12/344715012.db2.gz PORNMJBJQRUNLZ-ZETCQYMHSA-N 0 0 270.130 2.161 10 30 CEEERN COc1cc(I)c(C#N)c(OC)c1 ZINC000306915188 344718909 /nfs/dbraw/zinc/71/89/09/344718909.db2.gz UFSBASUQURWWJH-UHFFFAOYSA-N 0 0 289.072 2.180 10 30 CEEERN Cc1nc(CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)cs1 ZINC000328640538 344757054 /nfs/dbraw/zinc/75/70/54/344757054.db2.gz 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Cc1nn(C)c(C(=O)Nc2ccc(Cl)c(C#N)c2)c1N ZINC000090140580 179919362 /nfs/dbraw/zinc/91/93/62/179919362.db2.gz GHJAROWVJOGSFL-UHFFFAOYSA-N 0 0 289.726 2.088 10 30 CEEERN CCOC(=O)NCC#CCOc1ccc2cccnc2c1 ZINC000090743437 180035634 /nfs/dbraw/zinc/03/56/34/180035634.db2.gz OIJCKVJZFBUPBL-UHFFFAOYSA-N 0 0 284.315 2.363 10 30 CEEERN O=C(Nc1ccc(C#CCO)cc1)[C@@H]1Cc2ccccc21 ZINC000090985702 180080578 /nfs/dbraw/zinc/08/05/78/180080578.db2.gz FZROETSDGDWVJM-QGZVFWFLSA-N 0 0 277.323 2.309 10 30 CEEERN N#C[C@H](CC(=O)N1CCCC1)Nc1cccc(F)c1 ZINC000091324966 180134792 /nfs/dbraw/zinc/13/47/92/180134792.db2.gz ADPNNMBEKGQRHG-ZDUSSCGKSA-N 0 0 261.300 2.142 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2ccncc2C#CCCO)[C@@H]1C ZINC000091459128 180160788 /nfs/dbraw/zinc/16/07/88/180160788.db2.gz MBPYWWVVEWQAQT-ZIAGYGMSSA-N 0 0 286.375 2.076 10 30 CEEERN CC(C)CN(C(=O)c1ccncc1C#CCCO)C1CC1 ZINC000091458776 180160985 /nfs/dbraw/zinc/16/09/85/180160985.db2.gz ZOVYJGCMDYYPKY-UHFFFAOYSA-N 0 0 286.375 2.076 10 30 CEEERN CC[C@@H]1CCCN(C(=O)c2ccncc2C#CCCO)C1 ZINC000091457926 180161161 /nfs/dbraw/zinc/16/11/61/180161161.db2.gz CXGABHXFUPYQPY-CQSZACIVSA-N 0 0 286.375 2.078 10 30 CEEERN CCn1cc(CN2CCC(C#N)(SC)CC2)cn1 ZINC000091471076 180164815 /nfs/dbraw/zinc/16/48/15/180164815.db2.gz AWLNXIQPGSSNMQ-UHFFFAOYSA-N 0 0 264.398 2.124 10 30 CEEERN CCC[C@@H](C)NC(=O)CN1CCC(C#N)(SC)CC1 ZINC000091475008 180165188 /nfs/dbraw/zinc/16/51/88/180165188.db2.gz QJRQDJADKJXIQJ-GFCCVEGCSA-N 0 0 283.441 2.012 10 30 CEEERN CSC1(C#N)CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000091474095 180165701 /nfs/dbraw/zinc/16/57/01/180165701.db2.gz QNXPWOIKYHELBS-GFCCVEGCSA-N 0 0 295.452 2.155 10 30 CEEERN CCc1nn(C)c(N(C)c2ccc(C#N)cc2)c1N ZINC000091560693 180192242 /nfs/dbraw/zinc/19/22/42/180192242.db2.gz FAAAEFYFBHYJFH-UHFFFAOYSA-N 0 0 255.325 2.204 10 30 CEEERN CCCc1nn(C)c(NCc2ccc(C#N)cc2)c1N ZINC000091577192 180197755 /nfs/dbraw/zinc/19/77/55/180197755.db2.gz KZLHBRHBBQIABJ-UHFFFAOYSA-N 0 0 269.352 2.439 10 30 CEEERN 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CEEERN CCC[C@@H](C#N)N1CCN(Cc2ccccc2C#N)CC1 ZINC000109456759 186254019 /nfs/dbraw/zinc/25/40/19/186254019.db2.gz RQOMDEMIZPXHTO-KRWDZBQOSA-N 0 0 282.391 2.368 10 30 CEEERN CN(CC1CCCC1)C(=O)c1ccc(C#CCCO)cn1 ZINC000110847505 186328168 /nfs/dbraw/zinc/32/81/68/186328168.db2.gz QKFVUWMHCQSXPA-UHFFFAOYSA-N 0 0 286.375 2.078 10 30 CEEERN C[C@](C#N)(Cn1c2ccccc2nc1CC#N)NC1CC1 ZINC000110952262 186336288 /nfs/dbraw/zinc/33/62/88/186336288.db2.gz HELXTVAEUYEWSG-INIZCTEOSA-N 0 0 279.347 2.137 10 30 CEEERN COc1cccn2c(N)c(-c3cccc(C#N)c3)nc12 ZINC000110782885 186324719 /nfs/dbraw/zinc/32/47/19/186324719.db2.gz SOJLFEAOTNQQNN-UHFFFAOYSA-N 0 0 264.288 2.464 10 30 CEEERN C[C@H](CC#N)N(C)C(=O)c1c(N)cccc1Cl ZINC000111012875 186343314 /nfs/dbraw/zinc/34/33/14/186343314.db2.gz JGOYMXJQQFOPDJ-MRVPVSSYSA-N 0 0 251.717 2.296 10 30 CEEERN CCN[C@@](C#N)(CN(CC)CCOCC)c1ccccc1 ZINC000111121541 186355105 /nfs/dbraw/zinc/35/51/05/186355105.db2.gz FCJLRXMYPCFELP-KRWDZBQOSA-N 0 0 289.423 2.373 10 30 CEEERN C[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C#CCO ZINC000111531424 186425511 /nfs/dbraw/zinc/42/55/11/186425511.db2.gz JMGYGPAELDXKBP-YPMHNXCESA-N 0 0 277.389 2.400 10 30 CEEERN C[C@@H]1CCCN1C(=O)c1sccc1C#CCCO ZINC000111532792 186426989 /nfs/dbraw/zinc/42/69/89/186426989.db2.gz QRHIFJFXPXZAHZ-LLVKDONJSA-N 0 0 263.362 2.107 10 30 CEEERN C=CCCOCCNC(=O)N[C@H]1COc2ccccc21 ZINC000123213868 187078336 /nfs/dbraw/zinc/07/83/36/187078336.db2.gz KQQAJXAMALFGAW-ZDUSSCGKSA-N 0 0 276.336 2.012 10 30 CEEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000135171736 187803005 /nfs/dbraw/zinc/80/30/05/187803005.db2.gz FIKLXUROPBZATI-NHYWBVRUSA-N 0 0 276.384 2.394 10 30 CEEERN C#CCSCCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000153745414 188100539 /nfs/dbraw/zinc/10/05/39/188100539.db2.gz BYTFOXOAQQZAIQ-NSHDSACASA-N 0 0 266.366 2.315 10 30 CEEERN N#CC1(C(=O)N[C@@H]2CCOc3ccccc32)CCC1 ZINC000083795049 283043210 /nfs/dbraw/zinc/04/32/10/283043210.db2.gz DCTGUZPMGXXAHC-GFCCVEGCSA-N 0 0 256.305 2.320 10 30 CEEERN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000133756783 366252453 /nfs/dbraw/zinc/25/24/53/366252453.db2.gz XQGLFEWDKHODRY-RISCZKNCSA-N 0 0 288.347 2.108 10 30 CEEERN COC(=O)c1cc(F)cc(OC(F)(F)F)c1C#N ZINC000575390501 366267809 /nfs/dbraw/zinc/26/78/09/366267809.db2.gz QKKZTLMGBMGNKK-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN COC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1C=O ZINC000575391067 366268312 /nfs/dbraw/zinc/26/83/12/366268312.db2.gz HWXAARLUTHSKIV-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN COC(=O)c1c(C#N)c(C=O)ccc1C(F)(F)F ZINC000575391021 366268348 /nfs/dbraw/zinc/26/83/48/366268348.db2.gz DAXCFVKAMJNSJQ-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(C=O)c1C(F)(F)F ZINC000575391065 366268419 /nfs/dbraw/zinc/26/84/19/366268419.db2.gz HIGSQKXVNUZSLM-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)c1ccc(O)c(OC(F)(F)F)c1C#N ZINC000575391236 366268598 /nfs/dbraw/zinc/26/85/98/366268598.db2.gz BLOILKGORXMYFJ-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN CCOC(=O)Cc1c(O)ccc(OC(F)(F)F)c1C#N ZINC000575391698 366270057 /nfs/dbraw/zinc/27/00/57/366270057.db2.gz GLPUKBYEUKRCRR-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)cc1OC ZINC000575394062 366272414 /nfs/dbraw/zinc/27/24/14/366272414.db2.gz IANDDEOMQUVFRB-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)c1c(OC(F)(F)F)ccc(OC)c1C#N ZINC000575393942 366272481 /nfs/dbraw/zinc/27/24/81/366272481.db2.gz ALPVTKJRHXNOPU-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)Cc1cc(OC(F)(F)F)cc(C)c1C#N ZINC000575394338 366273419 /nfs/dbraw/zinc/27/34/19/366273419.db2.gz DYYOQKDLRIJVJC-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN C#C[C@@H](C)NC(=O)c1ccsc1Br ZINC000575479014 366292096 /nfs/dbraw/zinc/29/20/96/366292096.db2.gz LMSOBTILPQVUBI-ZCFIWIBFSA-N 0 0 258.140 2.262 10 30 CEEERN CCOc1ccc(Br)c(CC#N)c1N ZINC000575714827 366342218 /nfs/dbraw/zinc/34/22/18/366342218.db2.gz SOEVZTZZOACJDM-UHFFFAOYSA-N 0 0 255.115 2.496 10 30 CEEERN N#Cc1cc(N)cc(I)c1Cl ZINC000575719987 366345878 /nfs/dbraw/zinc/34/58/78/366345878.db2.gz BXRZKRUFYRCNMO-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN N#CCc1c(I)ccc(N)c1F ZINC000575717867 366343242 /nfs/dbraw/zinc/34/32/42/366343242.db2.gz CJHSXQHVRUEBTK-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN N#CCc1cc(F)c(N)c(I)c1 ZINC000575718295 366343974 /nfs/dbraw/zinc/34/39/74/366343974.db2.gz ICOLUYJYDYMYRJ-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN Cc1cc(CC#N)cc(I)c1N ZINC000575719038 366344336 /nfs/dbraw/zinc/34/43/36/366344336.db2.gz NHNNPKOAOFSXFS-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN N#Cc1ccnc(N[C@@H]2CCCc3cc(N)ccc32)n1 ZINC000231944264 283225114 /nfs/dbraw/zinc/22/51/14/283225114.db2.gz WVZNUOCBHSMDAF-CQSZACIVSA-N 0 0 265.320 2.420 10 30 CEEERN C=CC(=O)c1cn(C)nc1NC(=O)OC(C)(C)C ZINC000685958848 540657879 /nfs/dbraw/zinc/65/78/79/540657879.db2.gz CSTILALCOLSPAW-UHFFFAOYSA-N 0 0 251.286 2.136 10 30 CEEERN C[C@@H](CC(=O)CC[C@@H]1CO1)NC(=O)OC(C)(C)C ZINC000685959775 540658995 /nfs/dbraw/zinc/65/89/95/540658995.db2.gz UVGOJZPQTWBSMS-GXSJLCMTSA-N 0 0 257.330 2.038 10 30 CEEERN N#Cc1cccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177789491 189069490 /nfs/dbraw/zinc/06/94/90/189069490.db2.gz SSGGANACHYLFKQ-OAHLLOKOSA-N 0 0 280.331 2.060 10 30 CEEERN N#Cc1ccc(CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000177991513 189084524 /nfs/dbraw/zinc/08/45/24/189084524.db2.gz GTRMIWAJJGBLJT-AEFFLSMTSA-N 0 0 298.386 2.254 10 30 CEEERN C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181153467 189289631 /nfs/dbraw/zinc/28/96/31/189289631.db2.gz CGOJAYIULLGTCC-JTQLQIEISA-N 0 0 297.314 2.149 10 30 CEEERN N#Cc1cccc(N[C@H](Cn2cncn2)c2ccccc2)n1 ZINC000301847499 201228997 /nfs/dbraw/zinc/22/89/97/201228997.db2.gz NLBINIXOATXMEY-OAHLLOKOSA-N 0 0 290.330 2.398 10 30 CEEERN CC(=O)c1ccc(C#N)c(NCCC2(C)OCCO2)c1 ZINC000302164662 201375913 /nfs/dbraw/zinc/37/59/13/201375913.db2.gz QSIHPBMSGXWOOQ-UHFFFAOYSA-N 0 0 274.320 2.326 10 30 CEEERN N#Cc1ccc(CN2CCO[C@H](c3nccs3)C2)o1 ZINC000092831500 364111955 /nfs/dbraw/zinc/11/19/55/364111955.db2.gz NTVYVWFTQSIPGF-LBPRGKRZSA-N 0 0 275.333 2.181 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)cc1F ZINC000094817885 364299925 /nfs/dbraw/zinc/29/99/25/364299925.db2.gz FNNOMGOKBDELEZ-GWCFXTLKSA-N 0 0 264.275 2.316 10 30 CEEERN CCCCCCCn1cc(Br)c(=O)[nH]c1=O ZINC000104272007 364689481 /nfs/dbraw/zinc/68/94/81/364689481.db2.gz KOQFVORWAJILQE-UHFFFAOYSA-N 0 0 289.173 2.270 10 30 CEEERN CC(C)Nc1ncnc2c1ncn2C[C@H](C#N)CCC#N ZINC000116400983 365053306 /nfs/dbraw/zinc/05/33/06/365053306.db2.gz IANQMXQHQOVJCV-NSHDSACASA-N 0 0 283.339 2.090 10 30 CEEERN C=CCOCCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120456091 365425597 /nfs/dbraw/zinc/42/55/97/365425597.db2.gz PQOQFPCKZMDEOE-GOEBONIOSA-N 0 0 281.396 2.123 10 30 CEEERN C#CCOc1ccc([C@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000164694785 367293919 /nfs/dbraw/zinc/29/39/19/367293919.db2.gz CDNZEEBTAPYDKN-BBRMVZONSA-N 0 0 296.374 2.476 10 30 CEEERN C[C@@H]1C[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000170882884 367440846 /nfs/dbraw/zinc/44/08/46/367440846.db2.gz GOWHYTIRYIABRM-HIFRSBDPSA-N 0 0 298.390 2.188 10 30 CEEERN COC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171426590 367540444 /nfs/dbraw/zinc/54/04/44/367540444.db2.gz KYRDMJUVWGBEMV-MRVPVSSYSA-N 0 0 264.350 2.329 10 30 CEEERN C[C@]1(CO)CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000132651305 291392594 /nfs/dbraw/zinc/39/25/94/291392594.db2.gz IYIJIDDVPBNPBU-AWEZNQCLSA-N 0 0 275.308 2.065 10 30 CEEERN C#CCCCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000179981478 368361180 /nfs/dbraw/zinc/36/11/80/368361180.db2.gz HWSDVQQEINKAJR-GDBMZVCRSA-N 0 0 263.381 2.334 10 30 CEEERN C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000347746588 368818408 /nfs/dbraw/zinc/81/84/08/368818408.db2.gz XINCEFHLELBXAE-AEGPPILISA-N 0 0 272.348 2.400 10 30 CEEERN C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000185739872 368852557 /nfs/dbraw/zinc/85/25/57/368852557.db2.gz RECPYZLRKZCESI-IJLUTSLNSA-N 0 0 281.302 2.122 10 30 CEEERN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000186577061 368998454 /nfs/dbraw/zinc/99/84/54/368998454.db2.gz FWAYVQSIAIHDNZ-CQSZACIVSA-N 0 0 291.782 2.264 10 30 CEEERN CC#CCCCC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187578150 369183342 /nfs/dbraw/zinc/18/33/42/369183342.db2.gz WESUSMUVHKDGAJ-GJZGRUSLSA-N 0 0 291.416 2.476 10 30 CEEERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000187856963 369236640 /nfs/dbraw/zinc/23/66/40/369236640.db2.gz FMEXZEQXOOOKJD-YGRLFVJLSA-N 0 0 269.304 2.184 10 30 CEEERN C=C[C@@](C)(CCOC)C(=O)N[C@H]1COc2ccccc21 ZINC000188415540 369353305 /nfs/dbraw/zinc/35/33/05/369353305.db2.gz HDTWVYXXMKENBC-BBRMVZONSA-N 0 0 275.348 2.465 10 30 CEEERN C=CC[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189494121 369525727 /nfs/dbraw/zinc/52/57/27/369525727.db2.gz PCGXLDFJDVKIBL-INIZCTEOSA-N 0 0 298.386 2.083 10 30 CEEERN CSCCCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235040889 370554840 /nfs/dbraw/zinc/55/48/40/370554840.db2.gz MLAOCAUTHASFGN-UHFFFAOYSA-N 0 0 266.326 2.417 10 30 CEEERN C[C@@H](NS(=O)(=O)c1cccnc1C#N)c1cccs1 ZINC000235214817 370559635 /nfs/dbraw/zinc/55/96/35/370559635.db2.gz HNBFAYCUXCBCEB-SECBINFHSA-N 0 0 293.373 2.054 10 30 CEEERN N#Cc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000236422353 370588658 /nfs/dbraw/zinc/58/86/58/370588658.db2.gz AOVQWUGQFAJUSM-UHFFFAOYSA-N 0 0 279.259 2.345 10 30 CEEERN CC[C@H](C#N)NC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000253549844 371527554 /nfs/dbraw/zinc/52/75/54/371527554.db2.gz MBUVNMWARSSNOY-QJPTWQEYSA-N 0 0 295.383 2.098 10 30 CEEERN C=CCSc1nnc(NN=Cc2ccccc2O)[nH]1 ZINC000254415867 371535928 /nfs/dbraw/zinc/53/59/28/371535928.db2.gz UILINOABTXLHDX-UHFFFAOYSA-N 0 0 275.337 2.234 10 30 CEEERN COC[C@H]1CN(c2cccc(F)c2C#N)CC(C)(C)O1 ZINC000285257056 375838309 /nfs/dbraw/zinc/83/83/09/375838309.db2.gz ZJKCXBRTJTYQJV-LLVKDONJSA-N 0 0 278.327 2.328 10 30 CEEERN COC[C@@H]1CN(c2cccc(F)c2C#N)CC(C)(C)O1 ZINC000285257057 375838591 /nfs/dbraw/zinc/83/85/91/375838591.db2.gz ZJKCXBRTJTYQJV-NSHDSACASA-N 0 0 278.327 2.328 10 30 CEEERN C=C[C@H](NN)c1sccc1I ZINC000306556421 376550092 /nfs/dbraw/zinc/55/00/92/376550092.db2.gz IHIORLKKXXOSHQ-LURJTMIESA-N 0 0 280.134 2.043 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000328644396 376868969 /nfs/dbraw/zinc/86/89/69/376868969.db2.gz ZHAFHAWUORSUIQ-AWEZNQCLSA-N 0 0 294.358 2.056 10 30 CEEERN Cc1cc(NCCCc2cc[nH]n2)c(C#N)c(C)n1 ZINC000302749630 379444213 /nfs/dbraw/zinc/44/42/13/379444213.db2.gz GNJLGPHARHZHSP-UHFFFAOYSA-N 0 0 255.325 2.338 10 30 CEEERN C=CC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC000405719320 542274061 /nfs/dbraw/zinc/27/40/61/542274061.db2.gz DDEIKLJNVLXVOB-JTQLQIEISA-N 0 0 271.382 2.484 10 30 CEEERN C#CCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406116714 542282043 /nfs/dbraw/zinc/28/20/43/542282043.db2.gz QXZHNVGARKECDM-LBPRGKRZSA-N 0 0 259.305 2.284 10 30 CEEERN O=C1NCCCC1=NNc1ccc(Br)cc1 ZINC000100056666 296364813 /nfs/dbraw/zinc/36/48/13/296364813.db2.gz SCVDTEHDHGYDMX-GDNBJRDFSA-N 0 0 282.141 2.127 10 30 CEEERN N#Cc1cc2ccccc2nc1NCc1c[nH]nc1N ZINC000093436479 184674561 /nfs/dbraw/zinc/67/45/61/184674561.db2.gz NMEUNCFLYZVQTQ-UHFFFAOYSA-N 0 0 264.292 2.024 10 30 CEEERN CC[C@@H](C)CN(C)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000081298587 177786913 /nfs/dbraw/zinc/78/69/13/177786913.db2.gz RQLGJJNLIIKMAE-GFCCVEGCSA-N 0 0 280.393 2.419 10 30 CEEERN COc1cc(OC)c(C(=O)N(CC#N)C(C)C)cc1OC ZINC000080212938 177626691 /nfs/dbraw/zinc/62/66/91/177626691.db2.gz FCIHLIXBCASLRY-UHFFFAOYSA-N 0 0 292.335 2.087 10 30 CEEERN Cc1nc(C)n(CC[C@H]2CCC[C@]2(C#N)NC2CC2)n1 ZINC000093576200 184692226 /nfs/dbraw/zinc/69/22/26/184692226.db2.gz FMUHPJBSGWTBMI-UKRRQHHQSA-N 0 0 273.384 2.100 10 30 CEEERN N#CCOc1cccc(N2CC3(C2)CCOCC3)c1 ZINC000093965315 184746910 /nfs/dbraw/zinc/74/69/10/184746910.db2.gz VAYZEVZRKFTEEI-UHFFFAOYSA-N 0 0 258.321 2.206 10 30 CEEERN Cc1cc(NC(=O)[C@H](C)C#N)ncc1Br ZINC000094063722 184753108 /nfs/dbraw/zinc/75/31/08/184753108.db2.gz OBDJCFKIBQUFKX-SSDOTTSWSA-N 0 0 268.114 2.251 10 30 CEEERN C[C@H]1OCC[C@H]1C(=O)NC1(C#N)CCCCCC1 ZINC000094177378 184759837 /nfs/dbraw/zinc/75/98/37/184759837.db2.gz BLKPHWIJMRXRMU-VXGBXAGGSA-N 0 0 250.342 2.144 10 30 CEEERN C[C@@]1(C(=O)Nc2ccc(F)cc2C#CCCO)CCCO1 ZINC000094790681 184864843 /nfs/dbraw/zinc/86/48/43/184864843.db2.gz UNLBOKWBRAPJHO-INIZCTEOSA-N 0 0 291.322 2.067 10 30 CEEERN C=CCN1C(=O)N=C(N)[C@H]1c1ccc(OC(C)C)cc1 ZINC000094516127 184813184 /nfs/dbraw/zinc/81/31/84/184813184.db2.gz NWGNWVLKLADVGD-CYBMUJFWSA-N 0 0 273.336 2.494 10 30 CEEERN Cc1ccc(NC(=O)C[C@@H]2CCCCO2)c(C#CCO)c1 ZINC000095032712 184919081 /nfs/dbraw/zinc/91/90/81/184919081.db2.gz LISVABRMJAOUGR-HNNXBMFYSA-N 0 0 287.359 2.237 10 30 CEEERN CC(C)c1nc(C(=O)Nc2cccc(F)c2C#N)n[nH]1 ZINC000095048218 184924224 /nfs/dbraw/zinc/92/42/24/184924224.db2.gz AFEFTJBDDGSDTI-UHFFFAOYSA-N 0 0 273.271 2.191 10 30 CEEERN Cc1sc(NC(=O)c2n[nH]c(C3CC3)n2)c(C#N)c1C ZINC000095061868 184927548 /nfs/dbraw/zinc/92/75/48/184927548.db2.gz UBXZYSMYYRCSOM-UHFFFAOYSA-N 0 0 287.348 2.484 10 30 CEEERN C[C@H]1CCN(C(=O)NCC(C)(C)C#N)CC1(F)F ZINC000334747892 533604692 /nfs/dbraw/zinc/60/46/92/533604692.db2.gz CVELZCVECHPVBD-VIFPVBQESA-N 0 0 259.300 2.223 10 30 CEEERN CCCCCC(=O)ON1C(=O)COc2ccccc21 ZINC000035075862 134787562 /nfs/dbraw/zinc/78/75/62/134787562.db2.gz VIMBDPWQQGWCPJ-UHFFFAOYSA-N 0 0 263.293 2.451 10 30 CEEERN C[C@H](C#N)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000090802625 135065917 /nfs/dbraw/zinc/06/59/17/135065917.db2.gz YOGBHZXFYSWSSF-SNVBAGLBSA-N 0 0 284.285 2.134 10 30 CEEERN Cc1ccc(C[C@@H](C#N)CO)cc1Br ZINC000299805337 394452413 /nfs/dbraw/zinc/45/24/13/394452413.db2.gz JOGNGGHLBHXUIC-JTQLQIEISA-N 0 0 254.127 2.432 10 30 CEEERN C=CCO[C@@H]1CCN(c2nc(C3CC3)ns2)C1 ZINC000302116715 394472688 /nfs/dbraw/zinc/47/26/88/394472688.db2.gz CGOLIJAYBHBQFM-SNVBAGLBSA-N 0 0 251.355 2.197 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1Cl ZINC000061889694 394569139 /nfs/dbraw/zinc/56/91/39/394569139.db2.gz DUIZJQZDHQMQHU-ONGXEEELSA-N 0 0 284.768 2.311 10 30 CEEERN CC(C)(C)[C@@H](O)CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000274260929 394795383 /nfs/dbraw/zinc/79/53/83/394795383.db2.gz NBCSGPGOBFQGED-LBPRGKRZSA-N 0 0 263.297 2.285 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCOc1ccccc1F ZINC000360337671 394797206 /nfs/dbraw/zinc/79/72/06/394797206.db2.gz MUFOQCINALAFQQ-YPMHNXCESA-N 0 0 276.311 2.403 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)CCOc1ccccc1F ZINC000360337668 394797321 /nfs/dbraw/zinc/79/73/21/394797321.db2.gz MUFOQCINALAFQQ-DGCLKSJQSA-N 0 0 276.311 2.403 10 30 CEEERN COC(=O)[C@@]1(C)CCCN1Cc1ccc(C#N)cc1C ZINC000186388653 395290741 /nfs/dbraw/zinc/29/07/41/395290741.db2.gz FVKJXIZTHBOZSR-MRXNPFEDSA-N 0 0 272.348 2.394 10 30 CEEERN COC(=O)Cc1cc(C#N)cc([N+](=O)[O-])c1C(F)F ZINC000575343748 395660148 /nfs/dbraw/zinc/66/01/48/395660148.db2.gz FMAGVVIBJFTTRB-UHFFFAOYSA-N 0 0 270.191 2.120 10 30 CEEERN CCOC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1C#N ZINC000575382818 395662317 /nfs/dbraw/zinc/66/23/17/395662317.db2.gz BDPNFJYFNCCJAC-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(Cl)c(C=O)c1 ZINC000575382713 395662373 /nfs/dbraw/zinc/66/23/73/395662373.db2.gz NSVSEFPYCDIZQI-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1cc(OC)cc(C#N)c1Br ZINC000575383000 395662567 /nfs/dbraw/zinc/66/25/67/395662567.db2.gz IFNSWFWOEDPGAN-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)c1c(CO)ccc(C(F)F)c1C#N ZINC000575387482 395663137 /nfs/dbraw/zinc/66/31/37/395663137.db2.gz JMIFIBVLDDVPCU-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)c1cc(C#N)c(C(F)F)c(CO)c1 ZINC000575387449 395663142 /nfs/dbraw/zinc/66/31/42/395663142.db2.gz GIPRJJSCKXHFEN-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN COC(=O)Cc1cc(C#N)c(F)cc1OC(F)F ZINC000575386170 395663197 /nfs/dbraw/zinc/66/31/97/395663197.db2.gz XNJSRKHGNCLKOL-UHFFFAOYSA-N 0 0 259.183 2.014 10 30 CEEERN CCOC(=O)Cc1ccc(C#N)c(OC(F)F)c1OC ZINC000575388631 395663822 /nfs/dbraw/zinc/66/38/22/395663822.db2.gz ORCJFVGIDDEIAG-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN C/C(=N\O)c1ccc(OCC(=O)NC2CCCC2)cc1 ZINC000019817588 400105849 /nfs/dbraw/zinc/10/58/49/400105849.db2.gz HPIBZQTVUVRUDV-GZTJUZNOSA-N 0 0 276.336 2.322 10 30 CEEERN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H](C#N)C2)cc1 ZINC000211405954 400303629 /nfs/dbraw/zinc/30/36/29/400303629.db2.gz XLBRKHYEERTGRA-RYUDHWBXSA-N 0 0 265.334 2.393 10 30 CEEERN Cc1cccc(NC(=O)C#CBr)c1F ZINC000306357403 400332551 /nfs/dbraw/zinc/33/25/51/400332551.db2.gz VUJQIPCYEOPLBW-UHFFFAOYSA-N 0 0 256.074 2.428 10 30 CEEERN N#Cc1cnn(C(=O)[C@@H]2C[C@H]2C2CCCCC2)c1N ZINC000175704680 165144504 /nfs/dbraw/zinc/14/45/04/165144504.db2.gz CUNBWZQGUVDLSB-NWDGAFQWSA-N 0 0 258.325 2.194 10 30 CEEERN N=C(NOC(=O)c1ccnc(Cl)c1)c1ccccc1 ZINC000004280900 169952808 /nfs/dbraw/zinc/95/28/08/169952808.db2.gz QTPKPFVFZDGQEM-UHFFFAOYSA-N 0 0 275.695 2.212 10 30 CEEERN N#CCCNC(=O)CSc1ccc(Cl)cc1N ZINC000019815409 170880792 /nfs/dbraw/zinc/88/07/92/170880792.db2.gz YZIADLHVYNYSPR-UHFFFAOYSA-N 0 0 269.757 2.044 10 30 CEEERN Cc1nc2sc3c(c2c(=O)n1CC#N)CC[C@@H](C)C3 ZINC000020157826 171039351 /nfs/dbraw/zinc/03/93/51/171039351.db2.gz KPXUIECANTUALM-MRVPVSSYSA-N 0 0 273.361 2.415 10 30 CEEERN N#Cc1cccc(NS(=O)(=O)N2CCCCCC2)c1 ZINC000020255784 171110419 /nfs/dbraw/zinc/11/04/19/171110419.db2.gz YNVOOXYTOWAEIP-UHFFFAOYSA-N 0 0 279.365 2.091 10 30 CEEERN C#CCNC(=O)[C@H](C)Nc1ccc(F)cc1Br ZINC000020430740 171195586 /nfs/dbraw/zinc/19/55/86/171195586.db2.gz JCPWGLQYLSHKHS-QMMMGPOBSA-N 0 0 299.143 2.138 10 30 CEEERN Cc1cc(N)ccc1NC(=O)COc1ccc(C#N)cc1 ZINC000022177645 171371677 /nfs/dbraw/zinc/37/16/77/171371677.db2.gz AOMXWENWCGKRLY-UHFFFAOYSA-N 0 0 281.315 2.466 10 30 CEEERN COC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc(C#N)c1 ZINC000035175754 172028742 /nfs/dbraw/zinc/02/87/42/172028742.db2.gz CFRTZRXNIHSUGH-CYBMUJFWSA-N 0 0 289.335 2.267 10 30 CEEERN N#Cc1ccccc1Cn1ncc(=O)c2ccccc21 ZINC000035179730 172032364 /nfs/dbraw/zinc/03/23/64/172032364.db2.gz KYMMVGXZOXCBHP-UHFFFAOYSA-N 0 0 261.284 2.316 10 30 CEEERN CCCC1N=NC(=S)N1N=Cc1ccc([N+](=O)[O-])cc1 ZINC000035418278 172190304 /nfs/dbraw/zinc/19/03/04/172190304.db2.gz SLYAUQSAQJIZBP-JYRVWZFOSA-N 0 0 291.336 2.310 10 30 CEEERN N#Cc1ccc(-c2nnc3ccc(Cl)nn32)cc1 ZINC000037325108 173125499 /nfs/dbraw/zinc/12/54/99/173125499.db2.gz KHTLEOUODFLYCD-UHFFFAOYSA-N 0 0 255.668 2.316 10 30 CEEERN N#CCN(CC#N)c1ccc(N)cc1C(F)(F)F ZINC000037754379 173678289 /nfs/dbraw/zinc/67/82/89/173678289.db2.gz LBKOKOGDXFUAIF-UHFFFAOYSA-N 0 0 254.215 2.141 10 30 CEEERN CN(C)c1ccc([C@H](C#N)NC[C@@H]2CCCO2)cc1 ZINC000037939983 173879615 /nfs/dbraw/zinc/87/96/15/173879615.db2.gz WSLALQBQHVGQQO-GJZGRUSLSA-N 0 0 259.353 2.086 10 30 CEEERN CC[N@H+](CCC(=O)[O-])Cc1cn2ccccc2c1C#N ZINC000038024547 174008222 /nfs/dbraw/zinc/00/82/22/174008222.db2.gz YHMKBSJKPCUPTO-UHFFFAOYSA-N 0 0 271.320 2.108 10 30 CEEERN N#C[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000040216551 174205422 /nfs/dbraw/zinc/20/54/22/174205422.db2.gz VESFWBYPIDLLAR-LLVKDONJSA-N 0 0 278.358 2.291 10 30 CEEERN Cc1cc(C)c(C#N)c(Oc2ccccc2C(N)=O)n1 ZINC000040509044 174303664 /nfs/dbraw/zinc/30/36/64/174303664.db2.gz OVZBIBKGAABFDH-UHFFFAOYSA-N 0 0 267.288 2.461 10 30 CEEERN N#Cc1ccc(CN2C=NS(=O)(=O)c3ccccc32)cc1 ZINC000009530355 414746932 /nfs/dbraw/zinc/74/69/32/414746932.db2.gz XYJWPHYVGHGPHL-UHFFFAOYSA-N 0 0 297.339 2.295 10 30 CEEERN N#CCCCN1C(=O)C(=O)c2cccc(Br)c21 ZINC000042100507 174637196 /nfs/dbraw/zinc/63/71/96/174637196.db2.gz OPIGBPCKNLMFQX-UHFFFAOYSA-N 0 0 293.120 2.282 10 30 CEEERN CCCC[C@@H](CC)C(=O)N(CC)C[C@H](C)/C(N)=N/O ZINC000042445824 174740112 /nfs/dbraw/zinc/74/01/12/174740112.db2.gz NRKZXTMSZFMAES-NWDGAFQWSA-N 0 0 271.405 2.434 10 30 CEEERN C[C@H](CN(C)c1ncc(Cl)cc1Cl)/C(N)=N/O ZINC000042458437 174750161 /nfs/dbraw/zinc/75/01/61/174750161.db2.gz FOEJOISUJDAPET-ZCFIWIBFSA-N 0 0 277.155 2.207 10 30 CEEERN N#CCCN(c1nc2sccn2c1C=O)C1CC1 ZINC000042546484 174787264 /nfs/dbraw/zinc/78/72/64/174787264.db2.gz ILOYSXONECTMNM-UHFFFAOYSA-N 0 0 260.322 2.091 10 30 CEEERN CCN(c1nc2c(cc1C#N)CCC2)[C@H](C)COC ZINC000043407272 175037262 /nfs/dbraw/zinc/03/72/62/175037262.db2.gz HWBZBUFNBBGYRU-LLVKDONJSA-N 0 0 259.353 2.303 10 30 CEEERN CC[C@@H]1CO[C@H](C)CN1C(=O)C1(C#N)CCCC1 ZINC000044293207 175160460 /nfs/dbraw/zinc/16/04/60/175160460.db2.gz RABLCWWUBHHLHF-VXGBXAGGSA-N 0 0 250.342 2.096 10 30 CEEERN CC1CCC(NC(=O)C2(C#N)CCOCC2)CC1 ZINC000044765125 175248978 /nfs/dbraw/zinc/24/89/78/175248978.db2.gz HSBVZUKTIUTITG-UHFFFAOYSA-N 0 0 250.342 2.002 10 30 CEEERN CCC(C#N)(CC)C(=O)N1CCO[C@@H]2CCC[C@H]21 ZINC000044767325 175249890 /nfs/dbraw/zinc/24/98/90/175249890.db2.gz YXVQSZKJPGDBIE-VXGBXAGGSA-N 0 0 250.342 2.096 10 30 CEEERN Cc1ccccc1NC(=O)C1(/C(N)=N/O)CCCC1 ZINC000044784665 175253787 /nfs/dbraw/zinc/25/37/87/175253787.db2.gz YVQKUUZQBRQNBJ-UHFFFAOYSA-N 0 0 261.325 2.240 10 30 CEEERN C[C@@H](N(C)C(=O)C1(/C(N)=N/O)CCCC1)C(C)(C)C ZINC000044792319 175254259 /nfs/dbraw/zinc/25/42/59/175254259.db2.gz ZZAXZUZXNIVPME-SNVBAGLBSA-N 0 0 269.389 2.186 10 30 CEEERN Cc1cc(C)nc(NC(=O)[C@H](C#N)Cc2ccccc2)n1 ZINC000044813096 175257937 /nfs/dbraw/zinc/25/79/37/175257937.db2.gz JRCPSMILFNUDHZ-AWEZNQCLSA-N 0 0 280.331 2.414 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N(C)CC(=O)N1CCCC1 ZINC000044824618 175259134 /nfs/dbraw/zinc/25/91/34/175259134.db2.gz SRQWQEDMQPKWTO-UHFFFAOYSA-N 0 0 293.411 2.177 10 30 CEEERN CN(CC(C)(C)C)C(=O)c1ccc(C#CCO)s1 ZINC000045091803 175305693 /nfs/dbraw/zinc/30/56/93/175305693.db2.gz CUGROLKHSLSXQG-UHFFFAOYSA-N 0 0 265.378 2.210 10 30 CEEERN CC1(C)C[C@@H]1NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000045140951 175315736 /nfs/dbraw/zinc/31/57/36/175315736.db2.gz CBWPNNBUTFOVSC-AWEZNQCLSA-N 0 0 275.323 2.088 10 30 CEEERN C[C@@H]1C[C@@H](C)CN(C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045178646 175323937 /nfs/dbraw/zinc/32/39/37/175323937.db2.gz GVVMQNSUILCUQN-FMKPAKJESA-N 0 0 257.381 2.342 10 30 CEEERN CCCN[C@](C#N)(Cn1cccn1)c1ccccc1 ZINC000045206888 175328325 /nfs/dbraw/zinc/32/83/25/175328325.db2.gz QTVYHPNDOMHIFN-OAHLLOKOSA-N 0 0 254.337 2.302 10 30 CEEERN C[C@](N)(C#N)CCOc1cccc2c1OC(C)(C)C2 ZINC000045210684 175328811 /nfs/dbraw/zinc/32/88/11/175328811.db2.gz GRTKLEJMOPZILL-OAHLLOKOSA-N 0 0 260.337 2.410 10 30 CEEERN CCN[C@](C)(C#N)CCn1ccc(C(F)(F)F)n1 ZINC000045207198 175328861 /nfs/dbraw/zinc/32/88/61/175328861.db2.gz SNFNDECRIOSTTL-JTQLQIEISA-N 0 0 260.263 2.184 10 30 CEEERN C[C@@](C#N)(COc1ccc(F)cc1F)NC1CC1 ZINC000045209699 175328958 /nfs/dbraw/zinc/32/89/58/175328958.db2.gz CZFIEJOWGKOPTM-CYBMUJFWSA-N 0 0 252.264 2.378 10 30 CEEERN CN[C@](C)(C#N)CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000045214506 175329305 /nfs/dbraw/zinc/32/93/05/175329305.db2.gz XYLZGIMYTBQTDI-LBPRGKRZSA-N 0 0 267.260 2.004 10 30 CEEERN C[C@@](N)(C#N)CCSc1ccc([N+](=O)[O-])cc1 ZINC000045216140 175329521 /nfs/dbraw/zinc/32/95/21/175329521.db2.gz HETJXWIDOXPGDF-NSHDSACASA-N 0 0 251.311 2.318 10 30 CEEERN COc1ccc2[nH]c(SCC[C@@](C)(N)C#N)nc2c1 ZINC000045218747 175329898 /nfs/dbraw/zinc/32/98/98/175329898.db2.gz BRNNKBLSXGGRJE-CYBMUJFWSA-N 0 0 276.365 2.295 10 30 CEEERN CN[C@](C)(C#N)CSc1ncnc2ccccc21 ZINC000045220247 175329908 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CC(C)[C@H](C#N)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000079845190 177569390 /nfs/dbraw/zinc/56/93/90/177569390.db2.gz UUIGNKFGFFKXMW-NSHDSACASA-N 0 0 262.269 2.264 10 30 CEEERN C=CC[C@H](CO)Nc1ccccc1S(=O)(=O)C(F)F ZINC000302163513 261349344 /nfs/dbraw/zinc/34/93/44/261349344.db2.gz ZEHUMWDVYWSONO-SECBINFHSA-N 0 0 291.319 2.032 10 30 CEEERN CC[C@H](C#N)NS(=O)(=O)c1cc(C)c(Cl)s1 ZINC000188448079 262155906 /nfs/dbraw/zinc/15/59/06/262155906.db2.gz BJLPWQDIXYHRGP-SSDOTTSWSA-N 0 0 278.786 2.290 10 30 CEEERN C[C@@H](NC(=O)N1CCOC2(CCC2)C1)c1ccncc1F ZINC000328762814 263857721 /nfs/dbraw/zinc/85/77/21/263857721.db2.gz YZKJAMVJQIDXML-LLVKDONJSA-N 0 0 293.342 2.451 10 30 CEEERN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135054828 264545125 /nfs/dbraw/zinc/54/51/25/264545125.db2.gz RVTVMLSHPSGJLR-BBRMVZONSA-N 0 0 288.395 2.164 10 30 CEEERN C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)O1 ZINC000129053307 279902482 /nfs/dbraw/zinc/90/24/82/279902482.db2.gz MEOKCPJYKOSMCI-FZMZJTMJSA-N 0 0 258.321 2.084 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000329382393 280391069 /nfs/dbraw/zinc/39/10/69/280391069.db2.gz OKSHSVKDMZNXIH-YRGRVCCFSA-N 0 0 277.368 2.216 10 30 CEEERN O=C(N[C@H]1COc2ccccc21)c1cc2n(n1)CCCO2 ZINC000330295470 295387852 /nfs/dbraw/zinc/38/78/52/295387852.db2.gz JJEVOAQXCPYNKU-LBPRGKRZSA-N 0 0 285.303 2.104 10 30 CEEERN Cn1cc([C@H]2CCCN2c2ccc(C#N)nc2)cn1 ZINC000267348989 302936225 /nfs/dbraw/zinc/93/62/25/302936225.db2.gz FYWCZMOYSWRDEO-CQSZACIVSA-N 0 0 253.309 2.028 10 30 CEEERN C=CCCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000177919629 329190434 /nfs/dbraw/zinc/19/04/34/329190434.db2.gz HMWXWGWFURMFDH-HIFRSBDPSA-N 0 0 251.370 2.496 10 30 CEEERN COc1cc(CN[C@@H]2CCC[C@H]2C#N)cc2c1OCO2 ZINC000168915937 327490136 /nfs/dbraw/zinc/49/01/36/327490136.db2.gz XCSKPXCRMMCQSO-NWDGAFQWSA-N 0 0 274.320 2.206 10 30 CEEERN C=CCCCC(=O)N[C@H]1C[C@H](OCC)C12CCOCC2 ZINC000187144525 329353591 /nfs/dbraw/zinc/35/35/91/329353591.db2.gz DQVZIYCCNLQAJW-KBPBESRZSA-N 0 0 281.396 2.433 10 30 CEEERN CCCCCCCCC(=O)N1CCCNC(=O)[C@H]1C ZINC000188891598 329374137 /nfs/dbraw/zinc/37/41/37/329374137.db2.gz XPSBXSOOCYJYCC-CYBMUJFWSA-N 0 0 268.401 2.474 10 30 CEEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)C1CC1 ZINC000108834217 330357794 /nfs/dbraw/zinc/35/77/94/330357794.db2.gz HMTPBTOWZAVRIG-NWDGAFQWSA-N 0 0 295.383 2.098 10 30 CEEERN Cc1ccc(F)c(N2CCC[C@@H](C(=O)CC#N)C2=O)c1 ZINC000536951684 330382528 /nfs/dbraw/zinc/38/25/28/330382528.db2.gz YYHNTORGBHZHAG-NSHDSACASA-N 0 0 274.295 2.360 10 30 CEEERN CCCN[C@H](C#N)CCSc1nnc2n1CCCCC2 ZINC000062454504 520061958 /nfs/dbraw/zinc/06/19/58/520061958.db2.gz SFJDDVBKLDQBJW-LBPRGKRZSA-N 0 0 293.440 2.378 10 30 CEEERN CCN[C@@](C#N)(CN1CCc2ccccc21)C1CC1 ZINC000069076045 520129148 /nfs/dbraw/zinc/12/91/48/520129148.db2.gz FRNXNAZUALDJTR-INIZCTEOSA-N 0 0 255.365 2.331 10 30 CEEERN CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000049372050 521027966 /nfs/dbraw/zinc/02/79/66/521027966.db2.gz GWMWDKMJYFBTHI-NWDGAFQWSA-N 0 0 276.336 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CCN[C@](C#N)(COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000069087994 520225164 /nfs/dbraw/zinc/22/51/64/520225164.db2.gz QUOKQRVPRFGDJN-CQSZACIVSA-N 0 0 275.308 2.255 10 30 CEEERN CCN(CC(=O)c1cc(F)ccc1OC)C[C@@H](C)C#N ZINC000050153231 520386485 /nfs/dbraw/zinc/38/64/85/520386485.db2.gz WSZAETXVMUZBCQ-NSHDSACASA-N 0 0 278.327 2.499 10 30 CEEERN CCN(CC(=O)c1ccc(C#N)cc1)C[C@H](C)C#N ZINC000050153345 520387813 /nfs/dbraw/zinc/38/78/13/520387813.db2.gz WNAPFTDXSAKMNK-GFCCVEGCSA-N 0 0 255.321 2.223 10 30 CEEERN CCCCN(CCO)c1cc(Cl)ccc1/C(N)=N/O ZINC000062789455 520525070 /nfs/dbraw/zinc/52/50/70/520525070.db2.gz OWZSYSZGVYGIOS-UHFFFAOYSA-N 0 0 285.775 2.033 10 30 CEEERN CCN(C[C@@](C#N)(NC(C)C)C1CC1)[C@@H](C)COC ZINC000069079310 521232967 /nfs/dbraw/zinc/23/29/67/521232967.db2.gz BVRJFQOIXVIXBK-DZGCQCFKSA-N 0 0 267.417 2.014 10 30 CEEERN CCN(Cc1ccncc1)Cc1cccnc1C#N ZINC000061664437 521420565 /nfs/dbraw/zinc/42/05/65/521420565.db2.gz JFJGXMNAPBOODB-UHFFFAOYSA-N 0 0 252.321 2.370 10 30 CEEERN 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267.214 2.048 10 30 CEEERN C=CCN(CC=C)S(=O)(=O)c1cc(C)cc(N)c1C ZINC000094358361 184788500 /nfs/dbraw/zinc/78/85/00/184788500.db2.gz CXFBGHZDLJABHB-UHFFFAOYSA-N 0 0 280.393 2.248 10 30 CEEERN OCC#Cc1cncc(O[C@H]2CCOC3(CCCC3)C2)c1 ZINC000094408437 184794139 /nfs/dbraw/zinc/79/41/39/184794139.db2.gz DFAXHZCEFVXAMV-HNNXBMFYSA-N 0 0 287.359 2.296 10 30 CEEERN COC[C@H](C)CC(=O)Nc1cccc(F)c1C#N ZINC000094816978 184873275 /nfs/dbraw/zinc/87/32/75/184873275.db2.gz VHNFRHKWLJNNIT-SECBINFHSA-N 0 0 250.273 2.308 10 30 CEEERN COC[C@@H](C)CC(=O)Nc1ccc(C#CCCO)cc1F ZINC000095037286 184920861 /nfs/dbraw/zinc/92/08/61/184920861.db2.gz UZCSYUXPKZCZGR-LBPRGKRZSA-N 0 0 293.338 2.171 10 30 CEEERN N#Cc1nccn1[C@H]1CCOC2(CCSCC2)C1 ZINC000094939621 184897334 /nfs/dbraw/zinc/89/73/34/184897334.db2.gz YSOJFCGKYGCVCI-NSHDSACASA-N 0 0 263.366 2.372 10 30 CEEERN N#Cc1ccc(N2C(=O)N[C@H]3CCCC[C@H]3C2=O)cc1 ZINC000085326514 135035928 /nfs/dbraw/zinc/03/59/28/135035928.db2.gz ZESBKHICGMJGCD-OLZOCXBDSA-N 0 0 269.304 2.173 10 30 CEEERN CCC[C@@H]1CNC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000087504599 135050427 /nfs/dbraw/zinc/05/04/27/135050427.db2.gz NQUXWTKXNCCHMC-LLVKDONJSA-N 0 0 257.293 2.031 10 30 CEEERN N#Cc1ccc(N2CCC[C@@H]2CCCO)c([N+](=O)[O-])c1 ZINC000052761546 394558112 /nfs/dbraw/zinc/55/81/12/394558112.db2.gz XANHDPBRGBVQMR-GFCCVEGCSA-N 0 0 275.308 2.208 10 30 CEEERN Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889762 394569206 /nfs/dbraw/zinc/56/92/06/394569206.db2.gz OCURAKXPZHIRKK-JQWIXIFHSA-N 0 0 282.340 2.105 10 30 CEEERN C=CC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000306778075 394518091 /nfs/dbraw/zinc/51/80/91/394518091.db2.gz OEKILQAOYCPFHM-UHFFFAOYSA-N 0 0 251.083 2.445 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCOc1ccccc1F ZINC000360337666 394797401 /nfs/dbraw/zinc/79/74/01/394797401.db2.gz MUFOQCINALAFQQ-AAEUAGOBSA-N 0 0 276.311 2.403 10 30 CEEERN C=C[C@](C)(CC)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000135054050 394962683 /nfs/dbraw/zinc/96/26/83/394962683.db2.gz AVRVECPFGVAXIR-IUODEOHRSA-N 0 0 261.369 2.338 10 30 CEEERN N#CCSCCCN1CCO[C@H](c2nccs2)C1 ZINC000173891343 395116960 /nfs/dbraw/zinc/11/69/60/395116960.db2.gz OHJROYHSBHJZOP-NSHDSACASA-N 0 0 283.422 2.163 10 30 CEEERN N#CCc1cccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000177748977 395155931 /nfs/dbraw/zinc/15/59/31/395155931.db2.gz DFUBICCJLUAZRC-MRXNPFEDSA-N 0 0 294.358 2.254 10 30 CEEERN CCc1nnc(N2C[C@H]3CCC[C@H]32)c(C#N)c1CC ZINC000531823556 395459376 /nfs/dbraw/zinc/45/93/76/395459376.db2.gz HHFZJPKEGHEXDT-QMTHXVAHSA-N 0 0 256.353 2.462 10 30 CEEERN CCOC(=O)c1cc(C#N)ncc1OC(F)(F)F ZINC000575374347 395661616 /nfs/dbraw/zinc/66/16/16/395661616.db2.gz PIZYSAUHUAPECG-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(Cl)c1OC ZINC000575382795 395662307 /nfs/dbraw/zinc/66/23/07/395662307.db2.gz PAQHWPCUPZMROM-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cc1C#N ZINC000575382844 395662344 /nfs/dbraw/zinc/66/23/44/395662344.db2.gz GMDJHGPHXKQJQM-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)c1ccc(Br)c([N+](=O)[O-])c1C#N ZINC000575383445 395662553 /nfs/dbraw/zinc/66/25/53/395662553.db2.gz HGTVNFWJWSFZRE-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCOC(=O)c1cc(C#N)cc(Br)c1[N+](=O)[O-] ZINC000575383448 395662607 /nfs/dbraw/zinc/66/26/07/395662607.db2.gz IDUVFRLVTIDVDK-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN COC(=O)Cc1cc(C#N)c(OC(F)F)cc1F ZINC000575385717 395662704 /nfs/dbraw/zinc/66/27/04/395662704.db2.gz GUEAZGJGTSOCGV-UHFFFAOYSA-N 0 0 259.183 2.014 10 30 CEEERN CCOC(=O)c1cc(C#N)c(OC(F)F)c(C=O)c1 ZINC000575385693 395662796 /nfs/dbraw/zinc/66/27/96/395662796.db2.gz FCHHVDCXPUMPCL-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)c1c(C#N)c(C=O)ccc1OC(F)F ZINC000575386181 395663124 /nfs/dbraw/zinc/66/31/24/395663124.db2.gz YEEHSVICVBAKGC-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)c1cc(C#N)c(CO)c(C(F)F)c1 ZINC000575388082 395663347 /nfs/dbraw/zinc/66/33/47/395663347.db2.gz UXPYJWVFTJLXAT-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)Cc1ccc(C=O)c(C(F)F)c1C#N ZINC000575388126 395663469 /nfs/dbraw/zinc/66/34/69/395663469.db2.gz XSLTXRWNULZLGG-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN COC(=O)Cc1ccc(C)c(OC(F)F)c1C#N ZINC000575388516 395663593 /nfs/dbraw/zinc/66/35/93/395663593.db2.gz XCUCHJRSKMQTMQ-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN COC(=O)Cc1ccc(OC(F)F)c(C)c1C#N ZINC000575388583 395663867 /nfs/dbraw/zinc/66/38/67/395663867.db2.gz YQOOCWNBABIYHN-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1[N+](=O)[O-] ZINC000575389132 395664104 /nfs/dbraw/zinc/66/41/04/395664104.db2.gz ZVRDMLFCFRRPFY-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(C#N)cc1 ZINC000177169439 165187685 /nfs/dbraw/zinc/18/76/85/165187685.db2.gz LXCCGBAGLIFZBB-MRXNPFEDSA-N 0 0 294.358 2.368 10 30 CEEERN CC(C)=C1C[C@@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)O)CC1=O ZINC000004098250 169931066 /nfs/dbraw/zinc/93/10/66/169931066.db2.gz JYWBCQDZTOFWOI-TUVASFSCSA-N 0 0 252.354 2.214 10 30 in-vitro CEEERN c1ccc(N=NCc2ccc3c(c2)OCCO3)nc1 ZINC000006270233 170187061 /nfs/dbraw/zinc/18/70/61/170187061.db2.gz MTOAUEAVMNQCJU-MHWRWJLKSA-N 0 0 255.277 2.299 10 30 CEEERN C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(C#N)cc1 ZINC000006913109 170254917 /nfs/dbraw/zinc/25/49/17/170254917.db2.gz LZWMQHTVBQUXTR-SNVBAGLBSA-N 0 0 284.344 2.468 10 30 CEEERN C=CCNC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000008074681 170317652 /nfs/dbraw/zinc/31/76/52/170317652.db2.gz VCKSNTOFOZMMST-AWEZNQCLSA-N 0 0 274.364 2.052 10 30 CEEERN N#C[C@@H](CN1CCOCC1)c1ccc(Br)cc1 ZINC000015783114 170677270 /nfs/dbraw/zinc/67/72/70/170677270.db2.gz MLWHAYVXMLKVAD-LBPRGKRZSA-N 0 0 295.180 2.388 10 30 CEEERN N/C(COc1ccc(Cl)cc1Br)=N\O ZINC000019508649 170819573 /nfs/dbraw/zinc/81/95/73/170819573.db2.gz MLPNEKJCKNZNOV-UHFFFAOYSA-N 0 0 279.521 2.228 10 30 CEEERN CC(C)(C)c1ccc(S(=O)(=O)CCC=O)cc1 ZINC000019788565 170866656 /nfs/dbraw/zinc/86/66/56/170866656.db2.gz LASRWHLZKKBHOL-UHFFFAOYSA-N 0 0 254.351 2.347 10 30 CEEERN N#Cc1ccc(C(=O)N2CCc3ccc(N)cc32)cc1 ZINC000019874750 170904080 /nfs/dbraw/zinc/90/40/80/170904080.db2.gz XKJCOPSDTAWLGN-UHFFFAOYSA-N 0 0 263.300 2.343 10 30 CEEERN N#Cc1ccccc1NCc1ccc(C(N)=O)cc1F ZINC000020051375 170979444 /nfs/dbraw/zinc/97/94/44/170979444.db2.gz BPCFIQAYWWHSPF-UHFFFAOYSA-N 0 0 269.279 2.408 10 30 CEEERN N#CCC(=O)Nc1ccc(F)cc1Br ZINC000020430940 171195433 /nfs/dbraw/zinc/19/54/33/171195433.db2.gz BPRHOCRPCJAHQL-UHFFFAOYSA-N 0 0 257.062 2.440 10 30 CEEERN N#Cc1ccc(CS(=O)(=O)Nc2ccccc2O)cc1 ZINC000021014996 171289218 /nfs/dbraw/zinc/28/92/18/171289218.db2.gz AOCSFZRXPICXPQ-UHFFFAOYSA-N 0 0 288.328 2.206 10 30 CEEERN N#Cc1ccc(OCC(=O)Nc2cccc(N)c2)cc1 ZINC000022221567 171378204 /nfs/dbraw/zinc/37/82/04/171378204.db2.gz RGGQMHBOURHWBT-UHFFFAOYSA-N 0 0 267.288 2.158 10 30 CEEERN COC(=O)CCSCc1cc(C#N)ccc1F ZINC000035220424 172061905 /nfs/dbraw/zinc/06/19/05/172061905.db2.gz XLXGFPBZNHMUAW-UHFFFAOYSA-N 0 0 253.298 2.494 10 30 CEEERN Cc1cc(-c2ccc3c(c2)OCO3)c(C#N)c(N)n1 ZINC000035278899 172097427 /nfs/dbraw/zinc/09/74/27/172097427.db2.gz FRUXLZAOHGFQNT-UHFFFAOYSA-N 0 0 253.261 2.240 10 30 CEEERN C=C(C)CN(CC)c1nc2sccn2c1CO ZINC000035429057 172197537 /nfs/dbraw/zinc/19/75/37/172197537.db2.gz JGBGOBRLFLZVOW-UHFFFAOYSA-N 0 0 251.355 2.291 10 30 CEEERN COc1cc(OC)c([C@H](C#N)NC2CC2)cc1OC ZINC000037329985 173131257 /nfs/dbraw/zinc/13/12/57/173131257.db2.gz AHYQZTPVTLBLCG-NSHDSACASA-N 0 0 262.309 2.029 10 30 CEEERN N#Cc1ccsc1NC(=O)COc1cccc(N)c1 ZINC000038054894 174066244 /nfs/dbraw/zinc/06/62/44/174066244.db2.gz WSNASKBLXOLZFE-UHFFFAOYSA-N 0 0 273.317 2.219 10 30 CEEERN C=C1CN(S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000038256085 174138237 /nfs/dbraw/zinc/13/82/37/174138237.db2.gz PYSRXJIWGMASCP-LBPRGKRZSA-N 0 0 251.351 2.192 10 30 CEEERN CN(C)N=Cc1ccc([C@H](O)C(=O)c2ccccc2)o1 ZINC000039715105 174171445 /nfs/dbraw/zinc/17/14/45/174171445.db2.gz DWBZWKLNLWGGTG-HEUOVEHFSA-N 0 0 272.304 2.091 10 30 CEEERN C=CCNc1ncnc(NCCC(C)C)c1[N+](=O)[O-] ZINC000040598937 174349548 /nfs/dbraw/zinc/34/95/48/174349548.db2.gz BMCPGVCNSBJIAB-UHFFFAOYSA-N 0 0 265.317 2.441 10 30 CEEERN Cc1cccc(NC(=O)COc2ccc(N)cc2C#N)c1 ZINC000040887458 174427914 /nfs/dbraw/zinc/42/79/14/174427914.db2.gz WIVUYBAGIQLNAE-UHFFFAOYSA-N 0 0 281.315 2.466 10 30 CEEERN N#Cc1cc(N)ccc1NC[C@@H](O)c1ccccc1 ZINC000041020825 174451951 /nfs/dbraw/zinc/45/19/51/174451951.db2.gz AAVQWRXXRLYWNE-OAHLLOKOSA-N 0 0 253.305 2.286 10 30 CEEERN C[C@H](C#N)CN(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000042454786 174746935 /nfs/dbraw/zinc/74/69/35/174746935.db2.gz DFGWSCSRQWUZBD-ZJUUUORDSA-N 0 0 294.786 2.341 10 30 CEEERN CC[C@H]1CO[C@H](C)CN1C(=O)C1(C#N)CCCCC1 ZINC000044766228 175249391 /nfs/dbraw/zinc/24/93/91/175249391.db2.gz PPNNCQUXNRKSBN-OLZOCXBDSA-N 0 0 264.369 2.486 10 30 CEEERN CC[C@@H](C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000044814101 175257861 /nfs/dbraw/zinc/25/78/61/175257861.db2.gz ROCMLJVYZPYHNP-QMMMGPOBSA-N 0 0 263.253 2.092 10 30 CEEERN CC1(C)COCCN1C(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044824454 175259476 /nfs/dbraw/zinc/25/94/76/175259476.db2.gz FRIVHYYXWIYICO-CQSZACIVSA-N 0 0 272.348 2.006 10 30 CEEERN CCCN(CC#N)[C@@H](C)C(=O)N1CCCCCC1 ZINC000045092540 175306261 /nfs/dbraw/zinc/30/62/61/175306261.db2.gz QKASLSOHJYKESH-ZDUSSCGKSA-N 0 0 251.374 2.013 10 30 CEEERN C[C@H](C#N)N(C)CC(=O)Nc1ccc(Br)cc1 ZINC000045143887 175316280 /nfs/dbraw/zinc/31/62/80/175316280.db2.gz WJZBRKWQDKNXAF-SECBINFHSA-N 0 0 296.168 2.231 10 30 CEEERN CCCN[C@](C)(C#N)CN(CC)CC(F)(F)F ZINC000045176804 175323533 /nfs/dbraw/zinc/32/35/33/175323533.db2.gz DNVPCGWNPLZZMJ-SNVBAGLBSA-N 0 0 251.296 2.152 10 30 CEEERN CC(C)N(CC(F)(F)F)C[C@@](C)(C#N)NC1CC1 ZINC000045176788 175323546 /nfs/dbraw/zinc/32/35/46/175323546.db2.gz DEWTYZIXSKGLMP-LLVKDONJSA-N 0 0 263.307 2.293 10 30 CEEERN CC(C)N[C@](C)(C#N)CN(CC(F)(F)F)C1CC1 ZINC000045176832 175323685 /nfs/dbraw/zinc/32/36/85/175323685.db2.gz PKKVEGYCJZJUDU-LLVKDONJSA-N 0 0 263.307 2.293 10 30 CEEERN C[C@@](C#N)(CCN(CC(F)(F)F)C1CC1)NC1CC1 ZINC000045181740 175325210 /nfs/dbraw/zinc/32/52/10/175325210.db2.gz AYDIXTMQRVFPGH-LBPRGKRZSA-N 0 0 275.318 2.437 10 30 CEEERN Cc1nccn1C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045183698 175326067 /nfs/dbraw/zinc/32/60/67/175326067.db2.gz FLLLEKQROYZVLI-INIZCTEOSA-N 0 0 266.348 2.363 10 30 CEEERN CCCN[C@](C#N)(COCCOC)c1ccccc1 ZINC000045208440 175328828 /nfs/dbraw/zinc/32/88/28/175328828.db2.gz WGLQOMIXAVZVEQ-OAHLLOKOSA-N 0 0 262.353 2.068 10 30 CEEERN CCN[C@@](C)(C#N)CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000045214510 175329098 /nfs/dbraw/zinc/32/90/98/175329098.db2.gz USCCZFVSTXIAMD-CYBMUJFWSA-N 0 0 281.287 2.395 10 30 CEEERN CN[C@](C#N)(CSc1nccn1C)c1ccccc1 ZINC000045217484 175329529 /nfs/dbraw/zinc/32/95/29/175329529.db2.gz JGJPSIODJLMVRI-CQSZACIVSA-N 0 0 272.377 2.151 10 30 CEEERN CC(C)N[C@](C)(C#N)COc1cccc(N(C)C)c1 ZINC000045215140 175329596 /nfs/dbraw/zinc/32/95/96/175329596.db2.gz DHFASQJOTVWIDN-OAHLLOKOSA-N 0 0 261.369 2.412 10 30 CEEERN CCCN[C@@](C)(C#N)CCSc1cnn(C)c1 ZINC000045220900 175330337 /nfs/dbraw/zinc/33/03/37/175330337.db2.gz URAXLOKFZUMSBG-GFCCVEGCSA-N 0 0 252.387 2.184 10 30 CEEERN CCCN[C@@H](C#N)COc1ccc([N+](=O)[O-])cc1F ZINC000045331599 175360379 /nfs/dbraw/zinc/36/03/79/175360379.db2.gz VFHLWXOFZMLJQX-VIFPVBQESA-N 0 0 267.260 2.004 10 30 CEEERN C[C@H]1CN(Cc2ccc(F)c(C#CCO)c2)CC(C)(C)O1 ZINC000045707245 175382740 /nfs/dbraw/zinc/38/27/40/175382740.db2.gz LONNANYYLHJLCS-ZDUSSCGKSA-N 0 0 291.366 2.169 10 30 CEEERN OCC#Cc1cccc(OCCOC2CCCC2)c1 ZINC000049619851 175495080 /nfs/dbraw/zinc/49/50/80/175495080.db2.gz LRJBLVQETOWGAM-UHFFFAOYSA-N 0 0 260.333 2.368 10 30 CEEERN CN(C(=O)c1cncc(C#CCCO)c1)c1ccccc1 ZINC000049628208 175497154 /nfs/dbraw/zinc/49/71/54/175497154.db2.gz YLJRJAWDAXOEPX-UHFFFAOYSA-N 0 0 280.327 2.092 10 30 CEEERN C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#CCO)cc1 ZINC000050568421 175517655 /nfs/dbraw/zinc/51/76/55/175517655.db2.gz HBLMMJDRWYEAPA-UONOGXRCSA-N 0 0 271.360 2.291 10 30 CEEERN CCN[C@@](C#N)(Cn1cc(C(F)(F)F)cn1)C1CC1 ZINC000070467374 175947378 /nfs/dbraw/zinc/94/73/78/175947378.db2.gz BILMOBIDIHCJPH-NSHDSACASA-N 0 0 272.274 2.184 10 30 CEEERN COCCN(CCC#N)c1c(F)c(F)ccc1[N+](=O)[O-] ZINC000071231148 176092072 /nfs/dbraw/zinc/09/20/72/176092072.db2.gz MEGAEKGOQIBTPO-UHFFFAOYSA-N 0 0 285.250 2.239 10 30 CEEERN C=CCCCN1C(=O)C(=O)c2c1cc(F)cc2F ZINC000071275727 176106894 /nfs/dbraw/zinc/10/68/94/176106894.db2.gz AGNVTLONFHENRP-UHFFFAOYSA-N 0 0 251.232 2.460 10 30 CEEERN CC(C)[C@@H](C)C(=O)NCc1cc(C#CCO)cs1 ZINC000071321905 176122486 /nfs/dbraw/zinc/12/24/86/176122486.db2.gz GNROMUFAJRHLMU-LLVKDONJSA-N 0 0 265.378 2.000 10 30 CEEERN O=C(NCc1ccc(C#CCO)s1)c1cccc(F)c1 ZINC000071322188 176123079 /nfs/dbraw/zinc/12/30/79/176123079.db2.gz LJMJDNZQEKLNJN-UHFFFAOYSA-N 0 0 289.331 2.161 10 30 CEEERN C=CCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(F)cc1 ZINC000071608519 176230588 /nfs/dbraw/zinc/23/05/88/176230588.db2.gz QIDDTTQXHZUGKU-NSHDSACASA-N 0 0 279.311 2.263 10 30 CEEERN C=CCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc(F)c(F)c1 ZINC000071639583 176238403 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CEEERN CCN(CC1CC1)C(=O)c1cc(C#CCO)ccc1F ZINC000069263260 520953822 /nfs/dbraw/zinc/95/38/22/520953822.db2.gz DEAJCZNGSGJCMV-UHFFFAOYSA-N 0 0 275.323 2.042 10 30 CEEERN CCN(C[C@@H](C)C#N)C(=O)c1c[nH]c2ccc(N)cc12 ZINC000062832690 521185815 /nfs/dbraw/zinc/18/58/15/521185815.db2.gz IMJJORDMTLPJIR-JTQLQIEISA-N 0 0 270.336 2.372 10 30 CEEERN CC[N@H+](Cc1cc(C#N)ccc1F)C(C)(C)C(=O)[O-] ZINC000061176835 521287709 /nfs/dbraw/zinc/28/77/09/521287709.db2.gz XADBGKXZPDRJAT-UHFFFAOYSA-N 0 0 264.300 2.382 10 30 CEEERN CC[N@@H+](Cc1ccc(C#N)cc1F)C[C@H](C)C(=O)[O-] ZINC000061219745 521299715 /nfs/dbraw/zinc/29/97/15/521299715.db2.gz KXDXROQLIWNOKD-JTQLQIEISA-N 0 0 264.300 2.240 10 30 CEEERN CCCN(CC(=O)NC)[C@@H](CC#N)c1ccccc1 ZINC000055020502 521546417 /nfs/dbraw/zinc/54/64/17/521546417.db2.gz GCWFBXNFWHTSOV-AWEZNQCLSA-N 0 0 259.353 2.099 10 30 CEEERN CCCn1c(S[C@@H]2C[C@H](C)CC[C@@H]2C#N)n[nH]c1=O ZINC000061595440 521635678 /nfs/dbraw/zinc/63/56/78/521635678.db2.gz NGMJCCRLZZGSTH-GMTAPVOTSA-N 0 0 280.397 2.402 10 30 CEEERN CNC(=O)c1cc(N(C)c2cccc(C#N)c2)ccn1 ZINC000061957475 521783603 /nfs/dbraw/zinc/78/36/03/521783603.db2.gz FJQIMPQCKHJXLR-UHFFFAOYSA-N 0 0 266.304 2.081 10 30 CEEERN CN[C@@](C#N)(COc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000069088806 522404286 /nfs/dbraw/zinc/40/42/86/522404286.db2.gz QFXGEHAAGXFPMS-ZDUSSCGKSA-N 0 0 279.271 2.004 10 30 CEEERN CN[C@](C#N)(CSc1nc(C)cs1)C1CC1 ZINC000068909353 522512199 /nfs/dbraw/zinc/51/21/99/522512199.db2.gz FXVQTIORODRVPL-LLVKDONJSA-N 0 0 253.396 2.435 10 30 CEEERN CN(CC/C(N)=N/O)Cc1c(F)cccc1Cl ZINC000049345337 522592329 /nfs/dbraw/zinc/59/23/29/522592329.db2.gz FSMLXMLKMYUEDF-UHFFFAOYSA-N 0 0 259.712 2.047 10 30 CEEERN COc1cc(N)ccc1OCc1cccnc1C#N ZINC000061656331 522627184 /nfs/dbraw/zinc/62/71/84/522627184.db2.gz VIEPNZGQBKQTCC-UHFFFAOYSA-N 0 0 255.277 2.123 10 30 CEEERN CNc1cccc(C(=O)Nc2cccc(C#N)c2)n1 ZINC000051069638 522655987 /nfs/dbraw/zinc/65/59/87/522655987.db2.gz YFQVUXIYMLWUSG-UHFFFAOYSA-N 0 0 252.277 2.247 10 30 CEEERN COc1cc([N+](=O)[O-])ccc1OCCC[C@](C)(N)C#N ZINC000050505991 522983904 /nfs/dbraw/zinc/98/39/04/522983904.db2.gz VIJRTKQQKZFQHE-ZDUSSCGKSA-N 0 0 279.296 2.003 10 30 CEEERN CC[C@H]1CO[C@@H](C)CN1C[C@](C#N)(NC(C)C)C1CC1 ZINC000069080420 523343056 /nfs/dbraw/zinc/34/30/56/523343056.db2.gz WWCVFYXYERVFHM-BPUTZDHNSA-N 0 0 279.428 2.156 10 30 CEEERN COC(=O)[C@@H](C)CN(C)[C@@H](CC#N)c1ccccc1 ZINC000055019785 523504111 /nfs/dbraw/zinc/50/41/11/523504111.db2.gz WAEVXZRWVFZBEV-JSGCOSHPSA-N 0 0 260.337 2.382 10 30 CEEERN COC(=O)[C@@H](N[C@@H]1CCCCC[C@@H]1C#N)C(C)C ZINC000054825025 523637730 /nfs/dbraw/zinc/63/77/30/523637730.db2.gz ILFRRABGIINNKD-UPJWGTAASA-N 0 0 252.358 2.246 10 30 CEEERN COc1ccc([C@H](C#N)C(=O)C2CCOCC2)cc1OC ZINC000061672452 525285893 /nfs/dbraw/zinc/28/58/93/525285893.db2.gz WBBKKNRVRFSEPB-ZDUSSCGKSA-N 0 0 289.331 2.307 10 30 CEEERN Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@](N)(C#N)C1CC1 ZINC000069089359 525556088 /nfs/dbraw/zinc/55/60/88/525556088.db2.gz AYKDXIUCZLIPDW-AWEZNQCLSA-N 0 0 275.308 2.222 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)c1cc(N)cnc1C ZINC000050428761 526005713 /nfs/dbraw/zinc/00/57/13/526005713.db2.gz LLZGCJXIDVQSHM-UHFFFAOYSA-N 0 0 266.304 2.405 10 30 CEEERN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(O)cc1 ZINC000050430822 526009143 /nfs/dbraw/zinc/00/91/43/526009143.db2.gz WKXOPGKFWZHUAT-UHFFFAOYSA-N 0 0 288.328 2.373 10 30 CEEERN N#C[C@@H](COc1ccc([N+](=O)[O-])c(Cl)c1)NC1CC1 ZINC000050471659 526495027 /nfs/dbraw/zinc/49/50/27/526495027.db2.gz ONXRNOOTOOTAQL-VIFPVBQESA-N 0 0 281.699 2.271 10 30 CEEERN N#C[C@@H](c1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000062720136 526496800 /nfs/dbraw/zinc/49/68/00/526496800.db2.gz QCJHOQOJFQBGMY-NSHDSACASA-N 0 0 256.227 2.001 10 30 CEEERN N#C[C@@H](c1ccc2ncccc2c1)N1CCOCC1 ZINC000069504591 526497967 /nfs/dbraw/zinc/49/79/67/526497967.db2.gz BJYJJYSPBCJQBG-HNNXBMFYSA-N 0 0 253.305 2.132 10 30 CEEERN N#C[C@H](C(=O)N1CCO[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000061615281 526506227 /nfs/dbraw/zinc/50/62/27/526506227.db2.gz LODBWCZFGLYXOJ-KKUMJFAQSA-N 0 0 270.332 2.074 10 30 CEEERN N#Cc1c(Cl)nsc1NCCN1CCCCCC1=O ZINC000048326425 526521426 /nfs/dbraw/zinc/52/14/26/526521426.db2.gz IAOZMHRAFWQZEV-UHFFFAOYSA-N 0 0 298.799 2.483 10 30 CEEERN N#Cc1cc(COc2ccc3c(c2)OCO3)ccn1 ZINC000068767982 526551819 /nfs/dbraw/zinc/55/18/19/526551819.db2.gz ZWEPQEMYCUTOHK-UHFFFAOYSA-N 0 0 254.245 2.261 10 30 CEEERN N#Cc1cc(Sc2nnc3ccccn32)ccn1 ZINC000061815558 526576592 /nfs/dbraw/zinc/57/65/92/526576592.db2.gz BOGPQORKLHTNLZ-UHFFFAOYSA-N 0 0 253.290 2.147 10 30 CEEERN N#Cc1ccc(NC(=O)c2cccc(N)n2)cc1Cl ZINC000051070396 526658330 /nfs/dbraw/zinc/65/83/30/526658330.db2.gz DBQZAGDZVUQEEH-UHFFFAOYSA-N 0 0 272.695 2.441 10 30 CEEERN N#Cc1ccc(OCCOCC(F)(F)F)c(N)c1 ZINC000049310493 526676438 /nfs/dbraw/zinc/67/64/38/526676438.db2.gz QAEDTFMOQDTBAN-UHFFFAOYSA-N 0 0 260.215 2.098 10 30 CEEERN N#Cc1cccc(NC(=O)Nc2ccncc2N)c1 ZINC000062726020 526720471 /nfs/dbraw/zinc/72/04/71/526720471.db2.gz YAGHVQVCXPIMRA-UHFFFAOYSA-N 0 0 253.265 2.179 10 30 CEEERN N#Cc1ncccc1CNc1ccc2c(c1)OCCO2 ZINC000061657018 526790637 /nfs/dbraw/zinc/79/06/37/526790637.db2.gz QSJWAEFCECRCKV-UHFFFAOYSA-N 0 0 267.288 2.337 10 30 CEEERN O=C(c1ccccc1)N1CC[C@@H]2CC(=O)C=C[C@H]2C1 ZINC000044075820 526793872 /nfs/dbraw/zinc/79/38/72/526793872.db2.gz KIGUODXTRRRCCD-KGLIPLIRSA-N 0 0 255.317 2.294 10 30 CEEERN N/C(=N/O)c1ccc(-n2cc(Cl)cn2)c(Cl)c1 ZINC000062794781 526802382 /nfs/dbraw/zinc/80/23/82/526802382.db2.gz SDVUTWAXZKCCQB-UHFFFAOYSA-N 0 0 271.107 2.274 10 30 CEEERN N/C(=N/O)c1ccc(SCC2CCCC2)nc1 ZINC000062836100 526802963 /nfs/dbraw/zinc/80/29/63/526802963.db2.gz DVLFHSFWHJUKJE-UHFFFAOYSA-N 0 0 251.355 2.458 10 30 CEEERN N/C(CCNC(=O)Nc1ccc(Cl)c(Cl)c1)=N/O ZINC000054155742 526812218 /nfs/dbraw/zinc/81/22/18/526812218.db2.gz ATOCLRBURMHKDH-UHFFFAOYSA-N 0 0 291.138 2.251 10 30 CEEERN Cc1nc2ccccc2n1CC[C@H](C#N)NC1CC1 ZINC000062439932 527171451 /nfs/dbraw/zinc/17/14/51/527171451.db2.gz RVYAZGAZXWTHHZ-CYBMUJFWSA-N 0 0 254.337 2.379 10 30 CEEERN Cn1cc(CNc2ccc(C(C)(C)C#N)cc2)nn1 ZINC000054859307 527224698 /nfs/dbraw/zinc/22/46/98/527224698.db2.gz FVYWWFPIZLBCRH-UHFFFAOYSA-N 0 0 255.325 2.228 10 30 CEEERN C[C@H](C#N)NC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000125591940 649957139 /nfs/dbraw/zinc/95/71/39/649957139.db2.gz MYQWXFBPNHHDEE-LLVKDONJSA-N 0 0 295.383 2.242 10 30 CEEERN C#CCN(C(=O)N[C@@H](C)[C@H]1CCCO1)C1CCCC1 ZINC000163628079 639059514 /nfs/dbraw/zinc/05/95/14/639059514.db2.gz QQQDSANLTLHZJP-GXTWGEPZSA-N 0 0 264.369 2.141 10 30 CEEERN C#CCOCCC(=O)O[C@H]1C[C@H](OCC)C12CCCC2 ZINC000166643705 639476357 /nfs/dbraw/zinc/47/63/57/639476357.db2.gz IOZUFUDPNYYIPX-KBPBESRZSA-N 0 0 280.364 2.307 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000061890311 639727913 /nfs/dbraw/zinc/72/79/13/639727913.db2.gz VESGVHPEBBMIJC-PELKAZGASA-N 0 0 277.255 2.156 10 30 CEEERN C=CCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000062062264 639734333 /nfs/dbraw/zinc/73/43/33/639734333.db2.gz HMFVKCYTXXCWRS-WDEREUQCSA-N 0 0 270.373 2.228 10 30 CEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000126861950 650978855 /nfs/dbraw/zinc/97/88/55/650978855.db2.gz NGZNUVBRADTNSM-RISCZKNCSA-N 0 0 288.347 2.108 10 30 CEEERN O=C(C#Cc1ccccc1F)NC(=O)Cc1ccccc1F ZINC000095831354 185029945 /nfs/dbraw/zinc/02/99/45/185029945.db2.gz GKOMGAZEINAFRM-UHFFFAOYSA-N 0 0 299.276 2.202 10 30 CEEERN COC(=O)[C@H](C#N)c1cc(Br)ccc1C#N ZINC000095830713 185029948 /nfs/dbraw/zinc/02/99/48/185029948.db2.gz DLORCFNKNRMRFO-SNVBAGLBSA-N 0 0 279.093 2.101 10 30 CEEERN C=CCOC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000121618272 365594935 /nfs/dbraw/zinc/59/49/35/365594935.db2.gz CZZOASDITASDOC-SNVBAGLBSA-N 0 0 255.314 2.115 10 30 CEEERN NC(=O)COc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000033378823 361777750 /nfs/dbraw/zinc/77/77/50/361777750.db2.gz XZRDKESCIXRAJM-DHZHZOJOSA-N 0 0 281.311 2.447 10 30 CEEERN O=C(Cc1c(F)cccc1Cl)N1CCC(=NO)CC1 ZINC000034940102 361798819 /nfs/dbraw/zinc/79/88/19/361798819.db2.gz LWEFORAZPXYPNT-UHFFFAOYSA-N 0 0 284.718 2.474 10 30 CEEERN C[C@H]1CN(CCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000034673915 361793450 /nfs/dbraw/zinc/79/34/50/361793450.db2.gz UFJMTFBSKXACJR-STQMWFEESA-N 0 0 260.337 2.046 10 30 CEEERN C=CCCO[C@H](C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124804029 187155053 /nfs/dbraw/zinc/15/50/53/187155053.db2.gz VYDQGOHPRKNYOC-CYBMUJFWSA-N 0 0 291.395 2.107 10 30 CEEERN CC(C)CCCCNC(=O)C1(C#N)CCOCC1 ZINC000096866974 185119036 /nfs/dbraw/zinc/11/90/36/185119036.db2.gz KMEJDPKZKSGTBJ-UHFFFAOYSA-N 0 0 252.358 2.249 10 30 CEEERN CN1C(=S)S[C@H](N(O)C=C2C=CC(=O)C=C2)C1(C)C ZINC000005903165 343355500 /nfs/dbraw/zinc/35/55/00/343355500.db2.gz HNMIBPAMIUHDLL-NSHDSACASA-N 0 0 296.417 2.325 10 30 CEEERN C=CCOCC(C)(COCC=C)C(=O)OCC=C ZINC000002576342 343351977 /nfs/dbraw/zinc/35/19/77/343351977.db2.gz HXGWGNLDKSQWGH-UHFFFAOYSA-N 0 0 254.326 2.127 10 30 CEEERN O=C(CCCCCNC(=O)c1ccc(Cl)cc1)NO ZINC000005579677 343354568 /nfs/dbraw/zinc/35/45/68/343354568.db2.gz YYCQNZBMCNSCKG-UHFFFAOYSA-N 0 0 284.743 2.136 10 30 in-vivo CEEERN COc1ccc([C@@H]2OCC(C)(C)[C@H](C=O)O2)cc1 ZINC000034751983 343420945 /nfs/dbraw/zinc/42/09/45/343420945.db2.gz AZYDCZDQGPLAQS-QWHCGFSZSA-N 0 0 250.294 2.334 10 30 CEEERN S=C(N/N=C/c1ccccc1)Nc1cccnc1 ZINC000038822640 343434838 /nfs/dbraw/zinc/43/48/38/343434838.db2.gz IZRPBFJRZPZSEK-OQLLNIDSSA-N 0 0 256.334 2.402 10 30 CEEERN CC(C)(C)OC(=O)Nc1ccc(F)c(/C(N)=N/O)c1 ZINC000054138850 343585309 /nfs/dbraw/zinc/58/53/09/343585309.db2.gz IEVXWUJASVVQCH-UHFFFAOYSA-N 0 0 269.276 2.267 10 30 CEEERN N#Cc1cnc2cc(I)[nH]c2c1 ZINC000095920135 344238062 /nfs/dbraw/zinc/23/80/62/344238062.db2.gz XRTLSTYZOKUEKR-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN N#Cc1c(Cl)nsc1NCC(=O)Nc1ccccn1 ZINC000092684610 344200398 /nfs/dbraw/zinc/20/03/98/344200398.db2.gz UCODPROPIMOLMR-UHFFFAOYSA-N 0 0 293.739 2.114 10 30 CEEERN C(#Cc1cnc(NC2CCOCC2)nc1)c1ccccc1 ZINC000116748955 344287331 /nfs/dbraw/zinc/28/73/31/344287331.db2.gz VDEHMDRSOMSQOH-UHFFFAOYSA-N 0 0 279.343 2.467 10 30 CEEERN COc1cc(C#N)ccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000130167236 344350636 /nfs/dbraw/zinc/35/06/36/344350636.db2.gz ZGGDOKKNCJXFKW-CABZTGNLSA-N 0 0 260.293 2.073 10 30 CEEERN N#Cc1cccc([S@@](=O)c2cccc(CO)c2)c1 ZINC000148051820 344413141 /nfs/dbraw/zinc/41/31/41/344413141.db2.gz LTMGRSJRHUTPEP-SFHVURJKSA-N 0 0 257.314 2.217 10 30 CEEERN CC[C@H](C#N)NS(=O)(=O)c1ccc(C)c2ncccc12 ZINC000163232515 344470151 /nfs/dbraw/zinc/47/01/51/344470151.db2.gz BZBMQQVRJPPHPT-LLVKDONJSA-N 0 0 289.360 2.124 10 30 CEEERN CCc1nnc(I)c(C#N)c1CC ZINC000167717264 344478940 /nfs/dbraw/zinc/47/89/40/344478940.db2.gz SVHRORLNPTYBBJ-UHFFFAOYSA-N 0 0 287.104 2.078 10 30 CEEERN CSc1ccc(/C(N)=N/O)cc1Br ZINC000169213412 344481365 /nfs/dbraw/zinc/48/13/65/344481365.db2.gz GOBDEJATVMTPQK-UHFFFAOYSA-N 0 0 261.144 2.266 10 30 CEEERN CC(C)(C)OC(=O)NC[C@H](C#N)NCc1ccccc1 ZINC000226216542 344548530 /nfs/dbraw/zinc/54/85/30/344548530.db2.gz JZELMWYUYIXEHT-ZDUSSCGKSA-N 0 0 275.352 2.193 10 30 CEEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)C(=O)N1CCCCC1 ZINC000228112799 344558815 /nfs/dbraw/zinc/55/88/15/344558815.db2.gz ZIHXULZCWJRLAO-BFHYXJOUSA-N 0 0 263.385 2.059 10 30 CEEERN COC(=O)Cc1cc(Br)cc(C#N)c1 ZINC000238383791 344606709 /nfs/dbraw/zinc/60/67/09/344606709.db2.gz CALVXUHJIVBQIW-UHFFFAOYSA-N 0 0 254.083 2.036 10 30 CEEERN CCNc1ncc(I)c(C)c1C#N ZINC000307257427 344721229 /nfs/dbraw/zinc/72/12/29/344721229.db2.gz BANLFWYLXBIPRI-UHFFFAOYSA-N 0 0 287.104 2.298 10 30 CEEERN COC(=O)c1ccc(Br)c(F)c1C#N ZINC000307448060 344722801 /nfs/dbraw/zinc/72/28/01/344722801.db2.gz KZXPLPVSRVOESE-UHFFFAOYSA-N 0 0 258.046 2.246 10 30 CEEERN COC(=O)c1c(C)cc(Br)cc1C#N ZINC000306266893 344712928 /nfs/dbraw/zinc/71/29/28/344712928.db2.gz GTYWANILNJYWTC-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN Cn1ncc(C(=O)C2=CCCCO2)c1Br ZINC000306598153 344714985 /nfs/dbraw/zinc/71/49/85/344714985.db2.gz PDDFMYXBUBLISO-UHFFFAOYSA-N 0 0 271.114 2.060 10 30 CEEERN CC[C@H](C#N)C(=O)N[C@H](C)COCc1ccccc1 ZINC000390759383 344837397 /nfs/dbraw/zinc/83/73/97/344837397.db2.gz LCUYKKBIMANMDV-TZMCWYRMSA-N 0 0 260.337 2.258 10 30 CEEERN CCO[C@@]1(C(=O)Nc2ccc(Cl)c(C#N)c2)CCOC1 ZINC000401740601 344869559 /nfs/dbraw/zinc/86/95/59/344869559.db2.gz KLHTUVFRBCFWTD-AWEZNQCLSA-N 0 0 294.738 2.346 10 30 CEEERN CCOC(=O)c1ccccc1C#C[C@@](C)(O)C1(C#N)CC1 ZINC000584597266 344961840 /nfs/dbraw/zinc/96/18/40/344961840.db2.gz JVDGZQKXLFSINN-MRXNPFEDSA-N 0 0 283.327 2.270 10 30 CEEERN CCOC(=O)C=NNc1ccc(Br)cc1 ZINC000584610204 344964820 /nfs/dbraw/zinc/96/48/20/344964820.db2.gz ZSOPSOZWGRSCDN-KPKJPENVSA-N 0 0 271.114 2.410 10 30 CEEERN O=C1c2ccccc2C(=O)N1CC#CCC(F)(F)F ZINC000584623233 344967778 /nfs/dbraw/zinc/96/77/78/344967778.db2.gz BMLJHXMIUSDPQX-UHFFFAOYSA-N 0 0 267.206 2.238 10 30 CEEERN Nc1nc(N)c2cc(N=Cc3ccc(F)cc3)ccc2n1 ZINC000584623302 344968041 /nfs/dbraw/zinc/96/80/41/344968041.db2.gz PHOJQNUOTWEIKO-UFWORHAWSA-N 0 0 281.294 2.345 10 30 CEEERN CC[C@@H](CC#N)[S@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000084264608 178834629 /nfs/dbraw/zinc/83/46/29/178834629.db2.gz LOZXTSYVJUNFFL-DYZYQPBXSA-N 0 0 252.295 2.395 10 30 CEEERN CC[C@@H](C#N)C(=O)N1CCC(c2nccs2)CC1 ZINC000593446450 345488443 /nfs/dbraw/zinc/48/84/43/345488443.db2.gz RZUUBCXHIJVQOX-JTQLQIEISA-N 0 0 263.366 2.399 10 30 CEEERN Cc1cc(N2CCC[C@H]2c2cnn(C)c2)cc(C#N)n1 ZINC000308273584 201853988 /nfs/dbraw/zinc/85/39/88/201853988.db2.gz VKILWDHMQFHFNA-HNNXBMFYSA-N 0 0 267.336 2.337 10 30 CEEERN CC1CCC(C#N)(N2C(=O)[C@@H]3[C@H](C2=O)C3(C)C)CC1 ZINC000085404957 179053740 /nfs/dbraw/zinc/05/37/40/179053740.db2.gz AVYPRWWEBHWKRL-HTJOTKDVSA-N 0 0 260.337 2.100 10 30 CEEERN C=CCN1C(=O)[C@@](C)(CC)NC(=O)[C@H]1c1ccccc1 ZINC000085755597 179147018 /nfs/dbraw/zinc/14/70/18/179147018.db2.gz DFJFTNYAJRWGPM-CZUORRHYSA-N 0 0 272.348 2.041 10 30 CEEERN C[C@@H](C#N)[C@@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000085884175 179196179 /nfs/dbraw/zinc/19/61/79/179196179.db2.gz IZLSHJYGAAZKOE-QUBYGPBYSA-N 0 0 284.109 2.371 10 30 CEEERN CC(C)C[C@@H](CO)Nc1c(C#N)nnc2ccccc21 ZINC000085920147 179199647 /nfs/dbraw/zinc/19/96/47/179199647.db2.gz NLTVNYURJKFPGI-NSHDSACASA-N 0 0 270.336 2.320 10 30 CEEERN C[C@@H]1CCCCCN1S(=O)(=O)c1ccc(C#N)cc1N ZINC000085918382 179199873 /nfs/dbraw/zinc/19/98/73/179199873.db2.gz WVZXMHCETXAIPI-LLVKDONJSA-N 0 0 293.392 2.094 10 30 CEEERN Cc1cnc(CNc2c(C#N)nnc3ccccc32)cn1 ZINC000085920473 179200669 /nfs/dbraw/zinc/20/06/69/179200669.db2.gz VKXHVFMILUZGFI-UHFFFAOYSA-N 0 0 276.303 2.212 10 30 CEEERN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H](O)C1 ZINC000603866029 347393064 /nfs/dbraw/zinc/39/30/64/347393064.db2.gz XRVXZXSZPRNNTC-JQWIXIFHSA-N 0 0 261.281 2.182 10 30 CEEERN CSc1ncc(Cl)c(C(=O)N[C@H]2CCC[C@H]2C#N)n1 ZINC000610496239 347685685 /nfs/dbraw/zinc/68/56/85/347685685.db2.gz VJWJNFKDRNZYDT-CBAPKCEASA-N 0 0 296.783 2.274 10 30 CEEERN CCN[C@@]1(C#N)CC[C@@H](Sc2nncs2)C1 ZINC000086624250 179312226 /nfs/dbraw/zinc/31/22/26/179312226.db2.gz MIFPLZSMTUACTF-SCZZXKLOSA-N 0 0 254.384 2.055 10 30 CEEERN COC[C@H](NC(=O)[C@H](C#N)c1ccccc1)C(C)C ZINC000086700795 179321829 /nfs/dbraw/zinc/32/18/29/179321829.db2.gz JZCSDPFWAUSHLD-KGLIPLIRSA-N 0 0 260.337 2.081 10 30 CEEERN O=C(CC[C@@H]1CCCO1)Nc1ccc(C#CCO)cc1F ZINC000087238108 179404405 /nfs/dbraw/zinc/40/44/05/179404405.db2.gz IOQRRSSUPAPMBX-ZDUSSCGKSA-N 0 0 291.322 2.067 10 30 CEEERN Cc1ccc(C#CCO)cc1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000087746331 179480691 /nfs/dbraw/zinc/48/06/91/179480691.db2.gz JRTRBAXODXZOQF-XJKSGUPXSA-N 0 0 271.360 2.257 10 30 CEEERN COc1ccc(C#CCCO)c(COC2CCC2)c1 ZINC000087788668 179486587 /nfs/dbraw/zinc/48/65/87/179486587.db2.gz WJXLWGSWMGWBHE-UHFFFAOYSA-N 0 0 260.333 2.498 10 30 CEEERN CS(=O)(=O)N1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000616626860 348539625 /nfs/dbraw/zinc/53/96/25/348539625.db2.gz AEWASQHNEJQOKS-CYBMUJFWSA-N 0 0 278.377 2.087 10 30 CEEERN COc1ccc(C[S@@](=O)CC(C)C)cc1C#N ZINC000087833863 179498303 /nfs/dbraw/zinc/49/83/03/179498303.db2.gz GSUTTZYSAQWUBW-QGZVFWFLSA-N 0 0 251.351 2.472 10 30 CEEERN C[C@H](CC#N)N(C)C(=O)c1ccc2nc(N)sc2c1 ZINC000087847691 179500498 /nfs/dbraw/zinc/50/04/98/179500498.db2.gz RSDQXWRDPZJVRI-MRVPVSSYSA-N 0 0 274.349 2.253 10 30 CEEERN O=C(Nc1ccc(F)cn1)c1sccc1C#CCCO ZINC000088248738 179570589 /nfs/dbraw/zinc/57/05/89/179570589.db2.gz UAPIFGZZTATLBR-UHFFFAOYSA-N 0 0 290.319 2.268 10 30 CEEERN CCCN[C@](C)(C#N)CN(C)CCC(F)(F)F ZINC000088434369 179600454 /nfs/dbraw/zinc/60/04/54/179600454.db2.gz DCMACZVHEQRIIG-SNVBAGLBSA-N 0 0 251.296 2.152 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)NCc1cc(C)c(C)s1 ZINC000088486487 179612458 /nfs/dbraw/zinc/61/24/58/179612458.db2.gz GVDDVARQGHRHLQ-NSHDSACASA-N 0 0 272.395 2.087 10 30 CEEERN Cc1c(C#CCO)cccc1C(=O)NC(C1CC1)C1CC1 ZINC000088443261 179603309 /nfs/dbraw/zinc/60/33/09/179603309.db2.gz ISNZXBTXZGFCQC-UHFFFAOYSA-N 0 0 283.371 2.257 10 30 CEEERN O=C(NCCC1CC1)c1ccc(C#CCCO)s1 ZINC000088463112 179608460 /nfs/dbraw/zinc/60/84/60/179608460.db2.gz VTFZGDNEPQJOHQ-UHFFFAOYSA-N 0 0 263.362 2.012 10 30 CEEERN CN(C)c1nc(Cl)nc(-c2ccc(C#N)s2)n1 ZINC000088674947 179649476 /nfs/dbraw/zinc/64/94/76/179649476.db2.gz HKCZHKCZAWOIDM-UHFFFAOYSA-N 0 0 265.729 2.191 10 30 CEEERN COC(=O)[C@@H](C1CC1)n1c(CC#N)nc2ccccc21 ZINC000088795401 179673461 /nfs/dbraw/zinc/67/34/61/179673461.db2.gz CRVLXUMULGCCDH-CQSZACIVSA-N 0 0 269.304 2.226 10 30 CEEERN C=CCc1cc(N)ccc1OCCOCCOC ZINC000089064609 179696343 /nfs/dbraw/zinc/69/63/43/179696343.db2.gz GPAFPRRWKWKONJ-UHFFFAOYSA-N 0 0 251.326 2.039 10 30 CEEERN CCc1nn(C)c(C[C@]2(C#N)CCOC2)c1Br ZINC000089346727 179771453 /nfs/dbraw/zinc/77/14/53/179771453.db2.gz GAGSCGCBCQUTNH-LBPRGKRZSA-N 0 0 298.184 2.218 10 30 CEEERN CC(=O)[C@@](C)(C#N)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360558 179977967 /nfs/dbraw/zinc/97/79/67/179977967.db2.gz WMSAOEYPURIZAU-GFCCVEGCSA-N 0 0 277.236 2.164 10 30 CEEERN CC(=O)c1cn(-c2ccccc2)c(=O)c(C#N)c1C ZINC000090562572 180004832 /nfs/dbraw/zinc/00/48/32/180004832.db2.gz RWOBJUFBZAGZMV-UHFFFAOYSA-N 0 0 252.273 2.220 10 30 CEEERN COC(=O)c1nc(C)cc(N(C)c2ccc(C#N)cc2)n1 ZINC000090736728 180034017 /nfs/dbraw/zinc/03/40/17/180034017.db2.gz DFECWOHZWZTHKO-UHFFFAOYSA-N 0 0 282.303 2.211 10 30 CEEERN COCCN(CCC#N)C(=O)C[C@@H](C)C(C)(C)C ZINC000104447421 186005204 /nfs/dbraw/zinc/00/52/04/186005204.db2.gz KTYVDRKSNIAOKC-GFCCVEGCSA-N 0 0 254.374 2.447 10 30 CEEERN C#Cc1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000104458776 186006855 /nfs/dbraw/zinc/00/68/55/186006855.db2.gz UOFMJTDYGTYOTR-OKILXGFUSA-N 0 0 253.301 2.348 10 30 CEEERN O=C(Nc1ccccc1C#CCO)[C@H]1Cc2ccccc21 ZINC000090985699 180080857 /nfs/dbraw/zinc/08/08/57/180080857.db2.gz HPBXUAJTIAKDDL-INIZCTEOSA-N 0 0 277.323 2.309 10 30 CEEERN CSc1nnc(CC(C)C)c(=O)n1/N=C/C(C)C ZINC000104829290 186025616 /nfs/dbraw/zinc/02/56/16/186025616.db2.gz LEERDFCIGQKTOI-NTUHNPAUSA-N 0 0 268.386 2.049 10 30 CEEERN C[C@@H](NC(=O)c1ccncc1C#CCO)C1CCCCC1 ZINC000091459210 180160840 /nfs/dbraw/zinc/16/08/40/180160840.db2.gz QVNPZUVNJMEBHG-CYBMUJFWSA-N 0 0 286.375 2.124 10 30 CEEERN C[C@@H]1CCCCC[C@H]1NC(=O)c1ccncc1C#CCO ZINC000091460515 180161383 /nfs/dbraw/zinc/16/13/83/180161383.db2.gz WQKCLESAKQMONT-CZUORRHYSA-N 0 0 286.375 2.124 10 30 CEEERN CC1(C)CCC(NC(=O)c2ccncc2C#CCO)CC1 ZINC000091460040 180161750 /nfs/dbraw/zinc/16/17/50/180161750.db2.gz LIRUHEGCIUWEMD-UHFFFAOYSA-N 0 0 286.375 2.124 10 30 CEEERN CSC1(C#N)CCN([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000091476144 180166145 /nfs/dbraw/zinc/16/61/45/180166145.db2.gz VWBJWKFKBISCJS-CYBMUJFWSA-N 0 0 295.452 2.109 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000091491855 180170549 /nfs/dbraw/zinc/17/05/49/180170549.db2.gz ARGPSLFTBLPNHG-GFCCVEGCSA-N 0 0 277.412 2.115 10 30 CEEERN Cc1cc(F)cc(NC(=O)c2ccc(C#CCO)cn2)c1 ZINC000091517606 180177389 /nfs/dbraw/zinc/17/73/89/180177389.db2.gz YDZUHZVCBWADPW-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN CCN(CC)C(=O)NCc1cc(C#CCCO)ccc1F ZINC000091962332 180293201 /nfs/dbraw/zinc/29/32/01/180293201.db2.gz RENHJZRXFYNAMI-UHFFFAOYSA-N 0 0 292.354 2.111 10 30 CEEERN CCN(CC)C(=O)Nc1ccc(F)cc1C#CCCO ZINC000091962292 180293376 /nfs/dbraw/zinc/29/33/76/180293376.db2.gz FKFOGHIXUDCSSE-UHFFFAOYSA-N 0 0 278.327 2.433 10 30 CEEERN COCC[C@@](C)(O)[C@@]1(C#N)CCOc2ccccc21 ZINC000091878512 180278864 /nfs/dbraw/zinc/27/88/64/180278864.db2.gz DRVNSVXLILVSTJ-HUUCEWRRSA-N 0 0 261.321 2.018 10 30 CEEERN N#CC[C@H](O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000091875647 180278946 /nfs/dbraw/zinc/27/89/46/180278946.db2.gz NFLPOAPXSPHRCU-JTQLQIEISA-N 0 0 253.685 2.448 10 30 CEEERN COc1ccc([C@H](O)C(C)(C)C#N)c(OC)c1OC ZINC000091881859 180279311 /nfs/dbraw/zinc/27/93/11/180279311.db2.gz YIWWKMTVUXILJV-ZDUSSCGKSA-N 0 0 265.309 2.296 10 30 CEEERN N#C[C@@]1([C@H](O)c2ccccc2OC(F)F)CCOC1 ZINC000091879975 180279329 /nfs/dbraw/zinc/27/93/29/180279329.db2.gz BBPIJPCABRIFJY-YPMHNXCESA-N 0 0 269.247 2.252 10 30 CEEERN N#C[C@]1([C@H](O)c2cccc3cccnc32)CCOC1 ZINC000091885071 180279905 /nfs/dbraw/zinc/27/99/05/180279905.db2.gz GTMKLLMKJKZVTD-HUUCEWRRSA-N 0 0 254.289 2.198 10 30 CEEERN N#C[C@]1([C@H](O)[C@@H]2CCCOC2)CCc2ccccc2C1 ZINC000091884377 180280033 /nfs/dbraw/zinc/28/00/33/180280033.db2.gz AGSGWUDPJXWEOP-ZACQAIPSSA-N 0 0 271.360 2.473 10 30 CEEERN CC1(C)C[C@](O)([C@]2(C#N)COc3ccccc3C2)CCO1 ZINC000091885657 180280087 /nfs/dbraw/zinc/28/00/87/180280087.db2.gz XXDCECHTRKUSGO-SJORKVTESA-N 0 0 287.359 2.452 10 30 CEEERN N#CC1(C2(O)CCC3(CC2)OCCO3)CCCC1 ZINC000091903760 180283247 /nfs/dbraw/zinc/28/32/47/180283247.db2.gz YCDVUZTWPYOCKN-UHFFFAOYSA-N 0 0 251.326 2.119 10 30 CEEERN C=CCOC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C ZINC000105760037 186070670 /nfs/dbraw/zinc/07/06/70/186070670.db2.gz ROGCNUJMYQJSTD-SNVBAGLBSA-N 0 0 257.330 2.409 10 30 CEEERN C=CC[N@H+](CC(=O)[O-])[C@H](C)Cc1ccccc1OC ZINC000092468258 180392004 /nfs/dbraw/zinc/39/20/04/180392004.db2.gz FTBBASKUONJAMQ-GFCCVEGCSA-N 0 0 263.337 2.199 10 30 CEEERN C#CC[N@@H+](CC(=O)[O-])C[C@H]1CCCc2ccccc21 ZINC000092483102 180394580 /nfs/dbraw/zinc/39/45/80/180394580.db2.gz DDGSOPPYLWSCJS-CQSZACIVSA-N 0 0 257.333 2.126 10 30 CEEERN CNC(=O)c1ccc(N)c(Oc2cccc(F)c2C#N)c1 ZINC000109534038 186260353 /nfs/dbraw/zinc/26/03/53/186260353.db2.gz YCWGAMDQYSOKST-UHFFFAOYSA-N 0 0 285.278 2.431 10 30 CEEERN COc1ccc(CNc2ncc(N)cc2C#N)c(OC)c1 ZINC000109554018 186262611 /nfs/dbraw/zinc/26/26/11/186262611.db2.gz DPFMNVOGCPYRIF-UHFFFAOYSA-N 0 0 284.319 2.165 10 30 CEEERN Cc1ccc(F)c(C(=O)N2CCN(C(C)(C)C#N)CC2)c1 ZINC000109447662 186252873 /nfs/dbraw/zinc/25/28/73/186252873.db2.gz XDIDWVYTCHRTNJ-UHFFFAOYSA-N 0 0 289.354 2.194 10 30 CEEERN C[C@@H](C#N)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000109444911 186253050 /nfs/dbraw/zinc/25/30/50/186253050.db2.gz HAJRYFHZGNNZJL-AWEZNQCLSA-N 0 0 285.391 2.020 10 30 CEEERN C[C@H](C#N)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000109448295 186253066 /nfs/dbraw/zinc/25/30/66/186253066.db2.gz STVAHAODWAMOEH-LLVKDONJSA-N 0 0 292.770 2.402 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000109446127 186253101 /nfs/dbraw/zinc/25/31/01/186253101.db2.gz KODGZXVTSVHCAP-LBPRGKRZSA-N 0 0 277.393 2.117 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000109446372 186253158 /nfs/dbraw/zinc/25/31/58/186253158.db2.gz RANCEKKIPHBMOU-GFCCVEGCSA-N 0 0 293.317 2.025 10 30 CEEERN CCC[C@H](C#N)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000109446925 186253260 /nfs/dbraw/zinc/25/32/60/186253260.db2.gz GGIMAAREHLJHGD-OAHLLOKOSA-N 0 0 277.412 2.403 10 30 CEEERN Cc1cc(C)c(C(=O)N2CCN([C@@H](C)C#N)CC2)c(C)c1 ZINC000109444898 186253408 /nfs/dbraw/zinc/25/34/08/186253408.db2.gz IVRZOGKVEUULSQ-HNNXBMFYSA-N 0 0 285.391 2.282 10 30 CEEERN N#CC1(C(=O)N2CCO[C@H](c3nccs3)C2)CCCC1 ZINC000110874203 186330769 /nfs/dbraw/zinc/33/07/69/186330769.db2.gz ZZMIRQUEHMQWQK-NSHDSACASA-N 0 0 291.376 2.127 10 30 CEEERN N#Cc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)cc1 ZINC000110879327 186330783 /nfs/dbraw/zinc/33/07/83/186330783.db2.gz CKSYHWSYETWQDB-ZDUSSCGKSA-N 0 0 299.355 2.228 10 30 CEEERN N#CCc1nc2ccccc2n1-c1ccc([N+](=O)[O-])cn1 ZINC000110949484 186335766 /nfs/dbraw/zinc/33/57/66/186335766.db2.gz PXNZNUXWODWPTQ-UHFFFAOYSA-N 0 0 279.259 2.395 10 30 CEEERN COc1ccc(CSc2ccncn2)cc1C#CCO ZINC000111115023 186354001 /nfs/dbraw/zinc/35/40/01/186354001.db2.gz IKYSZGXXYLCXLT-UHFFFAOYSA-N 0 0 286.356 2.121 10 30 CEEERN CN[C@@](C)(C#N)CCCCSc1nnc(N(C)C)s1 ZINC000111316652 186396402 /nfs/dbraw/zinc/39/64/02/186396402.db2.gz BAIMTNZQKZDGOP-GFCCVEGCSA-N 0 0 299.469 2.368 10 30 CEEERN COc1ccc(OC)c(Nc2c(C#N)c(C)nn2C)c1 ZINC000111355055 186404602 /nfs/dbraw/zinc/40/46/02/186404602.db2.gz FCTYCFGYFHUYRP-UHFFFAOYSA-N 0 0 272.308 2.361 10 30 CEEERN N#Cc1ccc(C(=O)N(Cc2ccco2)C2CC2)nc1 ZINC000111275955 186386267 /nfs/dbraw/zinc/38/62/67/186386267.db2.gz HFEGGZWTZZSORG-UHFFFAOYSA-N 0 0 267.288 2.351 10 30 CEEERN O=C(NC(C1CC1)C1CC1)c1sccc1C#CCO ZINC000111533611 186427410 /nfs/dbraw/zinc/42/74/10/186427410.db2.gz CUQMLORRNNUKNV-UHFFFAOYSA-N 0 0 275.373 2.010 10 30 CEEERN N#Cc1cc(NCC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000131752173 366084844 /nfs/dbraw/zinc/08/48/44/366084844.db2.gz SDEMGISVMJXSAO-LBPRGKRZSA-N 0 0 261.281 2.447 10 30 CEEERN C#CCOc1ccc(F)cc1NC(=O)[C@@H](C)COC ZINC000156635857 188273385 /nfs/dbraw/zinc/27/33/85/188273385.db2.gz BFTWYHDDBLVDDA-JTQLQIEISA-N 0 0 265.284 2.059 10 30 CEEERN N#C[C@H]1Cc2c(Br)cccc2C(=O)O1 ZINC000125251346 540026137 /nfs/dbraw/zinc/02/61/37/540026137.db2.gz HVJVCCLJBMHYRF-ZCFIWIBFSA-N 0 0 252.067 2.054 10 30 CEEERN COC(=O)c1cc(C#N)cc(F)c1OC(F)(F)F ZINC000575390457 366267364 /nfs/dbraw/zinc/26/73/64/366267364.db2.gz NLHHKKIEQVHYGE-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN COC(=O)c1ccc(C#N)c(C=O)c1OC(F)(F)F ZINC000575391289 366268511 /nfs/dbraw/zinc/26/85/11/366268511.db2.gz SKCWFCXTLZXURY-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)c(C=O)cc1C#N ZINC000575391205 366268529 /nfs/dbraw/zinc/26/85/29/366268529.db2.gz OXMHVOQJDHBGRL-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN CCOC(=O)Cc1c(C=O)c(C#N)ccc1C(F)(F)F ZINC000575391242 366268888 /nfs/dbraw/zinc/26/88/88/366268888.db2.gz ITZDIVKNUOJDCU-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN COC(=O)Cc1cc(C=O)c(C(F)(F)F)cc1C#N ZINC000575391930 366269740 /nfs/dbraw/zinc/26/97/40/366269740.db2.gz ZYJJRSCWEUZZCZ-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)Cc1cc(O)cc(C#N)c1OC(F)(F)F ZINC000575391668 366269877 /nfs/dbraw/zinc/26/98/77/366269877.db2.gz CTCWHQNTIXFRTJ-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN COC(=O)Cc1c(C=O)c(C#N)ccc1C(F)(F)F ZINC000575391889 366270080 /nfs/dbraw/zinc/27/00/80/366270080.db2.gz YPXKRFSPUNQTLS-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(O)c(OC(F)(F)F)c1 ZINC000575392264 366271540 /nfs/dbraw/zinc/27/15/40/366271540.db2.gz PZFWKKIPKNYZJA-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN COC(=O)Cc1c(OC)ccc(C#N)c1C(F)(F)F ZINC000575394051 366272436 /nfs/dbraw/zinc/27/24/36/366272436.db2.gz HENWGGLLESKNGW-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1c(C#N)cc(OC)cc1C(F)(F)F ZINC000575394421 366274098 /nfs/dbraw/zinc/27/40/98/366274098.db2.gz KJTNGJXRMPGXOS-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1C ZINC000575395214 366275202 /nfs/dbraw/zinc/27/52/02/366275202.db2.gz SLANINOLDDGKQK-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN COC(=O)c1c(C#N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575395757 366276044 /nfs/dbraw/zinc/27/60/44/366276044.db2.gz PKHQQCGOUSSVDS-UHFFFAOYSA-N 0 0 274.154 2.272 10 30 CEEERN N#CCN(C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000078003454 363548498 /nfs/dbraw/zinc/54/84/98/363548498.db2.gz HDIZYFOKAIGFEZ-KRWDZBQOSA-N 0 0 288.391 2.332 10 30 CEEERN CCOc1c(OC(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575655743 366313416 /nfs/dbraw/zinc/31/34/16/366313416.db2.gz ARIPLRUNHOOOOF-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN CCOc1cc([N+](=O)[O-])c(OC(F)F)cc1C#N ZINC000575656895 366316470 /nfs/dbraw/zinc/31/64/70/366316470.db2.gz HKHHTVSQCNLEKM-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN N#CCc1cc(N)c(Br)c([N+](=O)[O-])c1 ZINC000575714569 366342107 /nfs/dbraw/zinc/34/21/07/366342107.db2.gz LMCCMHQCBNLGMN-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN Cc1ccc(N)c(CC#N)c1I ZINC000575719004 366344473 /nfs/dbraw/zinc/34/44/73/366344473.db2.gz MOERROOVJQIOKH-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN N#CCc1cc(F)c(I)cc1N ZINC000575718758 366344586 /nfs/dbraw/zinc/34/45/86/366344586.db2.gz OWNJMBJPBDNLHO-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN CCn1c(C)nnc1COc1cc(C#N)ccc1C ZINC000176998064 189019982 /nfs/dbraw/zinc/01/99/82/189019982.db2.gz RYGAYYLEDRBCOO-UHFFFAOYSA-N 0 0 256.309 2.366 10 30 CEEERN COc1cccc(/C=N/[C@H]2CCCn3nc(C)nc32)c1O ZINC000081551492 363728562 /nfs/dbraw/zinc/72/85/62/363728562.db2.gz VBESBPLFWKOXTI-RGZVIEDOSA-N 0 0 286.335 2.255 10 30 CEEERN C[C@]1(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC(=O)O1 ZINC000000163760 361138718 /nfs/dbraw/zinc/13/87/18/361138718.db2.gz CLFNMMZWWBGEOG-BTKRWWFXSA-N 0 0 275.260 2.273 10 30 CEEERN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(C)o1 ZINC000183072054 189345239 /nfs/dbraw/zinc/34/52/39/189345239.db2.gz RAEDVBGBBOPDEQ-CYBMUJFWSA-N 0 0 262.353 2.439 10 30 CEEERN O=C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000013521126 361430607 /nfs/dbraw/zinc/43/06/07/361430607.db2.gz HIVDFHSZNYCJQH-OAHLLOKOSA-N 0 0 253.301 2.227 10 30 CEEERN N#Cc1ccc(NC(=O)CNC(=O)c2cccc(F)c2)cc1 ZINC000015565870 361475358 /nfs/dbraw/zinc/47/53/58/361475358.db2.gz XGLNTHHKYLNUPF-UHFFFAOYSA-N 0 0 297.289 2.066 10 30 CEEERN CC1(CCNc2nc3c(cc2C#N)CCCC3)OCCO1 ZINC000302161557 201375362 /nfs/dbraw/zinc/37/53/62/201375362.db2.gz PNSIRYIIDURVSC-UHFFFAOYSA-N 0 0 287.363 2.397 10 30 CEEERN Cc1cc(N2CCC(C)(CO)CC2)c(C#N)c(C)n1 ZINC000302168006 201377609 /nfs/dbraw/zinc/37/76/09/201377609.db2.gz SHWNJGXGZNESGP-UHFFFAOYSA-N 0 0 259.353 2.169 10 30 CEEERN CCc1nc2n(n1)CCC[C@H]2NCc1cccc(C#N)c1 ZINC000088757428 363922118 /nfs/dbraw/zinc/92/21/18/363922118.db2.gz MONQFZAVPMPAFR-CQSZACIVSA-N 0 0 281.363 2.337 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000093655758 364210723 /nfs/dbraw/zinc/21/07/23/364210723.db2.gz LRZRRFBJTJJAEV-QPUJVOFHSA-N 0 0 277.255 2.156 10 30 CEEERN C=CCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000245394124 370811494 /nfs/dbraw/zinc/81/14/94/370811494.db2.gz XFUHWIFOUAMUQW-XQQFMLRXSA-N 0 0 265.353 2.285 10 30 CEEERN Cc1cc(COS(C)(=O)=O)ccc1Br ZINC000161767503 367111750 /nfs/dbraw/zinc/11/17/50/367111750.db2.gz UREHNNGWPNYPIU-UHFFFAOYSA-N 0 0 279.155 2.234 10 30 CEEERN C=C(Br)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161412605 367084796 /nfs/dbraw/zinc/08/47/96/367084796.db2.gz XIAWCNMJRMTRMP-NSHDSACASA-N 0 0 299.216 2.386 10 30 CEEERN COCC1=CCN(c2cc(C)nc(C)c2C#N)CC1 ZINC000162550827 367169955 /nfs/dbraw/zinc/16/99/55/367169955.db2.gz LBKBGOVJXYRKLP-UHFFFAOYSA-N 0 0 257.337 2.353 10 30 CEEERN CCOc1ccc(C#N)cc1NC(=O)[C@@H](C)COC ZINC000171460566 367547709 /nfs/dbraw/zinc/54/77/09/367547709.db2.gz PUKGIAHRUJCWOO-JTQLQIEISA-N 0 0 262.309 2.178 10 30 CEEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000171483141 367553108 /nfs/dbraw/zinc/55/31/08/367553108.db2.gz LERKHTJTJDDOSJ-YGRLFVJLSA-N 0 0 291.326 2.064 10 30 CEEERN C#CCSCCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000172373335 367727906 /nfs/dbraw/zinc/72/79/06/367727906.db2.gz BVLQLXVEURPUEQ-ZDUSSCGKSA-N 0 0 290.388 2.176 10 30 CEEERN CC1(C)CC[C@@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)O1 ZINC000302713613 201522906 /nfs/dbraw/zinc/52/29/06/201522906.db2.gz IQRYFKBXGRGLSZ-VIFPVBQESA-N 0 0 276.296 2.231 10 30 CEEERN CCOCCN1CCN(Cc2ccc(C#N)s2)C[C@H]1C ZINC000245774368 370872751 /nfs/dbraw/zinc/87/27/51/370872751.db2.gz SJIDEIAPVGYCIJ-CYBMUJFWSA-N 0 0 293.436 2.162 10 30 CEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@@H](C)C#N ZINC000182761584 368586284 /nfs/dbraw/zinc/58/62/84/368586284.db2.gz QLHFIZPLZVWMMJ-GXFFZTMASA-N 0 0 289.383 2.043 10 30 CEEERN C#CCC(C)(C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000185528771 368820270 /nfs/dbraw/zinc/82/02/70/368820270.db2.gz QKNABMDAMGZFFB-CQSZACIVSA-N 0 0 273.380 2.405 10 30 CEEERN COc1cc(C#N)ccc1OC(=O)[C@H]1CCCO[C@@H]1C ZINC000191347489 369703985 /nfs/dbraw/zinc/70/39/85/369703985.db2.gz ZBWSYDYAPKDSAZ-PWSUYJOCSA-N 0 0 275.304 2.287 10 30 CEEERN C[C@H]1OCCC[C@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000191928186 369754478 /nfs/dbraw/zinc/75/44/78/369754478.db2.gz JESDDJDJBKWCBU-MWLCHTKSSA-N 0 0 263.268 2.418 10 30 CEEERN Cc1ccc(-c2ccc(C(=O)NO)o2)cc1[N+](=O)[O-] ZINC000226290566 370332815 /nfs/dbraw/zinc/33/28/15/370332815.db2.gz BRPDBLVJRPWBTR-UHFFFAOYSA-N 0 0 262.221 2.282 10 30 CEEERN CO[C@H](c1noc(-c2cc(C#N)cn2C)n1)C1CC1 ZINC000234730476 370541451 /nfs/dbraw/zinc/54/14/51/370541451.db2.gz YDXLWADMVXRIGY-NSHDSACASA-N 0 0 258.281 2.044 10 30 CEEERN N#Cc1nc(NC[C@@H](O)c2ccsc2)ccc1[N+](=O)[O-] ZINC000236552682 189834698 /nfs/dbraw/zinc/83/46/98/189834698.db2.gz BVIUZLKIURMSJP-LLVKDONJSA-N 0 0 290.304 2.068 10 30 CEEERN CCOc1cc(C=NO)c(Br)cc1O ZINC000254446101 371535771 /nfs/dbraw/zinc/53/57/71/371535771.db2.gz WVQJMRRIQDLMDY-UHFFFAOYSA-N 0 0 260.087 2.362 10 30 CEEERN Cc1cc(C)n([C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000371484421 373900776 /nfs/dbraw/zinc/90/07/76/373900776.db2.gz CUCRWYFGGSWYFF-HNNXBMFYSA-N 0 0 297.362 2.177 10 30 CEEERN N#Cc1cc(Br)c([O-])c([C@H]2CC[NH2+]2)c1 ZINC000307019895 376558710 /nfs/dbraw/zinc/55/87/10/376558710.db2.gz VXHVBKUYJNBUTB-SECBINFHSA-N 0 0 253.099 2.061 10 30 CEEERN C#CC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C ZINC000405707462 542274354 /nfs/dbraw/zinc/27/43/54/542274354.db2.gz HOHGZYNBLOXCML-CQSZACIVSA-N 0 0 251.326 2.368 10 30 CEEERN C#CCC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406055939 542281335 /nfs/dbraw/zinc/28/13/35/542281335.db2.gz HBQCDYOSYRUTIO-GHMZBOCLSA-N 0 0 251.326 2.272 10 30 CEEERN CC#CCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406130461 542282041 /nfs/dbraw/zinc/28/20/41/542282041.db2.gz YPTJRUWCPZQRPY-LBPRGKRZSA-N 0 0 259.305 2.284 10 30 CEEERN N#Cc1cc2c(nc1-n1nnc3ccccc31)CCC2 ZINC000043407343 184558949 /nfs/dbraw/zinc/55/89/49/184558949.db2.gz SHVVPYPRJRWNFL-UHFFFAOYSA-N 0 0 261.288 2.176 10 30 CEEERN CC1(C)C(NC(=O)c2ccc(C#CCO)s2)C1(C)C ZINC000092832551 184629749 /nfs/dbraw/zinc/62/97/49/184629749.db2.gz OBUYLBCRPDCPDB-UHFFFAOYSA-N 0 0 277.389 2.256 10 30 CEEERN N#Cc1cc(NCCC(=O)NC2CC2)nc2ccccc12 ZINC000092996568 184641192 /nfs/dbraw/zinc/64/11/92/184641192.db2.gz JNKXQGYQLPPCAD-UHFFFAOYSA-N 0 0 280.331 2.187 10 30 CEEERN COC(=O)[C@H](C)[C@@H](C)Nc1cccc(F)c1C#N ZINC000093027036 184643706 /nfs/dbraw/zinc/64/37/06/184643706.db2.gz FCQHVIOIIRLEOF-RKDXNWHRSA-N 0 0 250.273 2.307 10 30 CEEERN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@]1(C)CO1 ZINC000209630214 542372388 /nfs/dbraw/zinc/37/23/88/542372388.db2.gz DDMPMIMTLBGEHT-QMTHXVAHSA-N 0 0 271.357 2.284 10 30 CEEERN CCOC(=O)C(Cl)N=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000100008651 256702112 /nfs/dbraw/zinc/70/21/12/256702112.db2.gz VTYRGKOCSXKHPS-UVTDQMKNSA-N 0 0 285.687 2.431 10 30 CEEERN C#CCN[C@@H](C(=O)OCC)c1cccc2c1OC(C)(C)C2 ZINC000080509918 177661452 /nfs/dbraw/zinc/66/14/52/177661452.db2.gz ZGDLWLQUTJGJHK-CQSZACIVSA-N 0 0 287.359 2.227 10 30 CEEERN N#C[C@@]1(N)CCC[C@H]1CCOc1ccc2c(c1)OCO2 ZINC000093577809 184691397 /nfs/dbraw/zinc/69/13/97/184691397.db2.gz WYCKITCIQZLZIN-NHYWBVRUSA-N 0 0 274.320 2.205 10 30 CEEERN COc1ccccc1OCC[C@H]1CCC[C@@]1(N)C#N ZINC000093579000 184691828 /nfs/dbraw/zinc/69/18/28/184691828.db2.gz XIEQPVYWWFXKHX-IUODEOHRSA-N 0 0 260.337 2.485 10 30 CEEERN CN[C@@]1(C#N)CC[C@@H](Oc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000093805252 184723830 /nfs/dbraw/zinc/72/38/30/184723830.db2.gz LRZBKRBMVHGWOK-RISCZKNCSA-N 0 0 291.307 2.016 10 30 CEEERN CN[C@@]1(C#N)CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC000093805176 184723879 /nfs/dbraw/zinc/72/38/79/184723879.db2.gz BMKJEOIQXMQQIN-OLZOCXBDSA-N 0 0 261.281 2.008 10 30 CEEERN Cc1ccc(C)c(C(=O)[C@@H](C)N2CCO[C@H](C#N)C2)c1 ZINC000093933300 184744946 /nfs/dbraw/zinc/74/49/46/184744946.db2.gz AVCLHELXGALNLF-ZIAGYGMSSA-N 0 0 272.348 2.099 10 30 CEEERN C=CCS(=O)(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000093938380 184745216 /nfs/dbraw/zinc/74/52/16/184745216.db2.gz TWFGLRJWFUUSPU-UHFFFAOYSA-N 0 0 263.322 2.004 10 30 CEEERN Cc1cccc(NC(=O)c2csc(C#CCO)c2)n1 ZINC000093973983 184746768 /nfs/dbraw/zinc/74/67/68/184746768.db2.gz XKGSNZNQKNBOBY-UHFFFAOYSA-N 0 0 272.329 2.048 10 30 CEEERN CC1(C)CCC[C@](C#N)(CCCS(C)(=O)=O)C1=O ZINC000094320382 184780010 /nfs/dbraw/zinc/78/00/10/184780010.db2.gz DPUJOFWQIMZSDT-CYBMUJFWSA-N 0 0 271.382 2.100 10 30 CEEERN OCC#Cc1ccccc1OCc1ccc(O)cc1 ZINC000094687084 184840021 /nfs/dbraw/zinc/84/00/21/184840021.db2.gz YMPGCLLLARQUGI-UHFFFAOYSA-N 0 0 254.285 2.315 10 30 CEEERN CC(C)c1nn(-c2cccc(C#N)c2)c(N)c1[N+](=O)[O-] ZINC000095028454 184918098 /nfs/dbraw/zinc/91/80/98/184918098.db2.gz YRNSEQWFSAIONZ-UHFFFAOYSA-N 0 0 271.280 2.358 10 30 CEEERN CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncccc2C#N)C1 ZINC000095083315 184938174 /nfs/dbraw/zinc/93/81/74/184938174.db2.gz TUFOJSCEZXPEOY-GFCCVEGCSA-N 0 0 289.335 2.341 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1CCN(C)C(=O)C1(C)C ZINC000094866391 184884374 /nfs/dbraw/zinc/88/43/74/184884374.db2.gz FLOKALSLJUMUJZ-UHFFFAOYSA-N 0 0 293.411 2.176 10 30 CEEERN N#Cc1nccn1-c1ccc([N+](=O)[O-])c2ncccc12 ZINC000094939921 184897611 /nfs/dbraw/zinc/89/76/11/184897611.db2.gz NZCOUTLEPLAIEZ-UHFFFAOYSA-N 0 0 265.232 2.200 10 30 CEEERN N#Cc1ccc(N2C(=O)Cc3ccccc3C2=O)cc1 ZINC000034937999 134785827 /nfs/dbraw/zinc/78/58/27/134785827.db2.gz MGVUTQXQZPSWTF-UHFFFAOYSA-N 0 0 262.268 2.288 10 30 CEEERN N#Cc1cccc(N2C(=O)N[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000085326571 135036181 /nfs/dbraw/zinc/03/61/81/135036181.db2.gz IDKMTSRMDGIFCN-QWHCGFSZSA-N 0 0 269.304 2.173 10 30 CEEERN Cc1cc(NC[C@@H]2CCC[C@@H]2O)c(C#N)cc1[N+](=O)[O-] ZINC000413159990 394495199 /nfs/dbraw/zinc/49/51/99/394495199.db2.gz BXHLROLDDRUPAS-HZMBPMFUSA-N 0 0 275.308 2.348 10 30 CEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)CC1CCCCC1 ZINC000061889863 394569070 /nfs/dbraw/zinc/56/90/70/394569070.db2.gz UAMFKENQFFEHKT-CHWSQXEVSA-N 0 0 270.398 2.178 10 30 CEEERN C[C@H]1C[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000108892594 394733311 /nfs/dbraw/zinc/73/33/11/394733311.db2.gz IFRXEMZRYAHEOI-DZGCQCFKSA-N 0 0 299.374 2.238 10 30 CEEERN C[C@H](NC(=O)N1CCO[C@@H](C#N)C1)c1cccc(Cl)c1 ZINC000106328320 394724803 /nfs/dbraw/zinc/72/48/03/394724803.db2.gz HHKYTROHGYRMRG-GWCFXTLKSA-N 0 0 293.754 2.335 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCOc1ccc(F)cc1 ZINC000360333638 394797355 /nfs/dbraw/zinc/79/73/55/394797355.db2.gz ANNCPJPUPYSRKO-FZMZJTMJSA-N 0 0 276.311 2.403 10 30 CEEERN N#Cc1cc(F)c(N2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(F)c1 ZINC000398815533 395238458 /nfs/dbraw/zinc/23/84/58/395238458.db2.gz AUOZUGSWJILRNV-SRVKXCTJSA-N 0 0 278.302 2.434 10 30 CEEERN N#Cc1ccnc(N2CCCN(c3ccccc3F)CC2)n1 ZINC000450534520 395572396 /nfs/dbraw/zinc/57/23/96/395572396.db2.gz FTAKYVMHNDRULV-UHFFFAOYSA-N 0 0 297.337 2.204 10 30 CEEERN COC(=O)Cc1cc(C#N)cc(OC)c1C(F)F ZINC000575343620 395660061 /nfs/dbraw/zinc/66/00/61/395660061.db2.gz QYWGEMIBWPIQFM-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(C=O)cc1Br ZINC000575341647 395660079 /nfs/dbraw/zinc/66/00/79/395660079.db2.gz GOJSWHLPCKAUFY-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN COC(=O)Cc1cc(C(F)F)cc(C#N)c1OC ZINC000575343519 395660089 /nfs/dbraw/zinc/66/00/89/395660089.db2.gz CYWGIRYQNNZWBF-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN COC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000575344912 395660299 /nfs/dbraw/zinc/66/02/99/395660299.db2.gz INVOXYWDYNQMAE-UHFFFAOYSA-N 0 0 259.183 2.172 10 30 CEEERN COC(=O)c1cc([N+](=O)[O-])c(C(F)F)cc1C#N ZINC000575344238 395660411 /nfs/dbraw/zinc/66/04/11/395660411.db2.gz XJLUOTLGVAHKNN-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN CCOC(=O)c1ncc(C#N)cc1OC(F)(F)F ZINC000575374267 395661217 /nfs/dbraw/zinc/66/12/17/395661217.db2.gz GHHDJOZFBWITCV-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(Cl)cc1C=O ZINC000575382712 395662320 /nfs/dbraw/zinc/66/23/20/395662320.db2.gz NBMZGCIFBFIIRQ-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)c1cc([N+](=O)[O-])c(C#N)cc1Cl ZINC000575382912 395662365 /nfs/dbraw/zinc/66/23/65/395662365.db2.gz RFMMIXPGHYWHIZ-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(Cl)c1C=O ZINC000575382710 395662391 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2.396 10 30 CEEERN C[C@@H](C#N)N(C)C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000045142901 175316049 /nfs/dbraw/zinc/31/60/49/175316049.db2.gz HCKHIPJIWMVSIO-BYPYZUCNSA-N 0 0 278.180 2.366 10 30 CEEERN CCCN[C@](C)(C#N)CN(CC(F)(F)F)C1CC1 ZINC000045176828 175323569 /nfs/dbraw/zinc/32/35/69/175323569.db2.gz IJNQGMKLZLEWJD-LLVKDONJSA-N 0 0 263.307 2.295 10 30 CEEERN CCN(CC(F)(F)F)C[C@@](C)(C#N)NC(C)C ZINC000045176808 175323718 /nfs/dbraw/zinc/32/37/18/175323718.db2.gz CJICVNDFFLCTSO-SNVBAGLBSA-N 0 0 251.296 2.151 10 30 CEEERN CCN(CC(F)(F)F)C[C@](N)(C#N)c1ccccc1 ZINC000045181681 175324674 /nfs/dbraw/zinc/32/46/74/175324674.db2.gz NRUIRZDKUWRTRI-GFCCVEGCSA-N 0 0 271.286 2.248 10 30 CEEERN CCOCCOC[C@](C#N)(NC(C)C)c1ccccc1 ZINC000045208050 175328661 /nfs/dbraw/zinc/32/86/61/175328661.db2.gz WTJWHJSCIRKUQQ-INIZCTEOSA-N 0 0 276.380 2.457 10 30 CEEERN CC(C)N[C@@](C)(C#N)CCOc1cccc(CO)c1 ZINC000045215597 175329649 /nfs/dbraw/zinc/32/96/49/175329649.db2.gz OIRKOYUXWRUIQA-OAHLLOKOSA-N 0 0 262.353 2.228 10 30 CEEERN CCN[C@](C)(C#N)CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000045215641 175329697 /nfs/dbraw/zinc/32/96/97/175329697.db2.gz BNBUXGORFDLTRO-ZDUSSCGKSA-N 0 0 281.287 2.395 10 30 CEEERN N#C[C@@](N)(CSc1nncs1)c1ccccc1 ZINC000045219246 175330261 /nfs/dbraw/zinc/33/02/61/175330261.db2.gz VRIWDYQNXLYBJC-LLVKDONJSA-N 0 0 262.363 2.008 10 30 CEEERN CC(C)N[C@H](C#N)Cn1ccnc1-c1ccccc1 ZINC000045322444 175359625 /nfs/dbraw/zinc/35/96/25/175359625.db2.gz HOHBXMDWDQDMRE-CQSZACIVSA-N 0 0 254.337 2.440 10 30 CEEERN CC(C)N[C@@](C)(C#N)CCCOC1CCOCC1 ZINC000045332036 175360351 /nfs/dbraw/zinc/36/03/51/175360351.db2.gz CQJQHQOBHYKLQY-CQSZACIVSA-N 0 0 254.374 2.242 10 30 CEEERN C[C@@H]1CN(Cc2ccc(C#CCO)s2)CC(C)(C)O1 ZINC000045707200 175382690 /nfs/dbraw/zinc/38/26/90/175382690.db2.gz RPBUHVXFUROFEJ-GFCCVEGCSA-N 0 0 279.405 2.091 10 30 CEEERN Cc1nn(Cc2ccccc2C#CCO)c(C)c1C ZINC000049619569 175495006 /nfs/dbraw/zinc/49/50/06/175495006.db2.gz OTAWMVUCTZXZDW-UHFFFAOYSA-N 0 0 254.333 2.200 10 30 CEEERN 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ZINC000070942002 176014920 /nfs/dbraw/zinc/01/49/20/176014920.db2.gz ALFDEKHJOUROKQ-JTQLQIEISA-N 0 0 287.344 2.271 10 30 CEEERN COc1ccc(C[C@](C)(C#N)NC[C@@H]2CCCO2)cc1 ZINC000071169517 176050543 /nfs/dbraw/zinc/05/05/43/176050543.db2.gz WBRZGHIOCCDCKS-JKSUJKDBSA-N 0 0 274.364 2.289 10 30 CEEERN CCNc1c(F)cccc1C(=O)N(CCC#N)CCOC ZINC000071233094 176092662 /nfs/dbraw/zinc/09/26/62/176092662.db2.gz SVLVCPUISMAHCH-UHFFFAOYSA-N 0 0 293.342 2.260 10 30 CEEERN COCCN(CCC#N)C(=O)c1c[nH]c2ccccc21 ZINC000071232738 176092752 /nfs/dbraw/zinc/09/27/52/176092752.db2.gz MGJDDQMFGLVDPL-UHFFFAOYSA-N 0 0 271.320 2.170 10 30 CEEERN O=C(NCc1cc(C#CCCO)cs1)c1ccco1 ZINC000071321995 176122549 /nfs/dbraw/zinc/12/25/49/176122549.db2.gz ITDKUVYVRHNPKC-UHFFFAOYSA-N 0 0 275.329 2.005 10 30 CEEERN O=C(NCc1ccc(C#CCO)s1)NC1CCCCC1 ZINC000071323034 176123326 /nfs/dbraw/zinc/12/33/26/176123326.db2.gz NUOHRGVWDUFVJX-UHFFFAOYSA-N 0 0 292.404 2.224 10 30 CEEERN C=CCS(=O)(=O)[C@H](C)C(=O)Nc1c(C)cccc1CC ZINC000071530806 176195083 /nfs/dbraw/zinc/19/50/83/176195083.db2.gz MGAPOAPYANDVOY-GFCCVEGCSA-N 0 0 295.404 2.485 10 30 CEEERN C=CCN(CCC(=O)OCC)C(=O)c1ccc(F)cc1 ZINC000071608438 176230592 /nfs/dbraw/zinc/23/05/92/176230592.db2.gz KNHYUHZGOLPSHJ-UHFFFAOYSA-N 0 0 279.311 2.407 10 30 CEEERN C=CCN(CCC(=O)OC)C(=O)c1cccc(F)c1 ZINC000071608129 176230718 /nfs/dbraw/zinc/23/07/18/176230718.db2.gz WDKKRKMYJZMESC-UHFFFAOYSA-N 0 0 265.284 2.017 10 30 CEEERN C=CCN(CCC(=O)OC)C(=O)c1ccccc1F ZINC000071607885 176230824 /nfs/dbraw/zinc/23/08/24/176230824.db2.gz BIOZPQWUVMZMRO-UHFFFAOYSA-N 0 0 265.284 2.017 10 30 CEEERN CCOC(=O)CN1C(=O)c2c(ccc3ccccc23)[C@H]1C#N ZINC000071679912 176244605 /nfs/dbraw/zinc/24/46/05/176244605.db2.gz QIFDOSCODCASCB-CQSZACIVSA-N 0 0 294.310 2.423 10 30 CEEERN COCCN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680923 176244979 /nfs/dbraw/zinc/24/49/79/176244979.db2.gz KIBTYWQWFZTZAG-NSHDSACASA-N 0 0 284.237 2.372 10 30 CEEERN CC[C@@H](CO)N1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680938 176245785 /nfs/dbraw/zinc/24/57/85/176245785.db2.gz YINWIEXKXIQKOW-CABZTGNLSA-N 0 0 298.264 2.497 10 30 CEEERN COc1cncc(N(C)C(=O)OC(C)(C)C)c1C#N ZINC000071791207 176262752 /nfs/dbraw/zinc/26/27/52/176262752.db2.gz GZNCLEKHZXJAFP-UHFFFAOYSA-N 0 0 263.297 2.333 10 30 CEEERN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H]1C ZINC000075513584 176724158 /nfs/dbraw/zinc/72/41/58/176724158.db2.gz SZMBXFZEKQCYBF-AAEUAGOBSA-N 0 0 288.347 2.250 10 30 CEEERN C=CCOC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000076847765 177119655 /nfs/dbraw/zinc/11/96/55/177119655.db2.gz JUQSRDAYBRMIDE-MNOVXSKESA-N 0 0 269.341 2.409 10 30 CEEERN C#CCCOC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076872280 177125408 /nfs/dbraw/zinc/12/54/08/177125408.db2.gz PWCXAJGZRZBDSV-NWDGAFQWSA-N 0 0 281.352 2.246 10 30 CEEERN COc1ccc(CC(=O)N2CCCC[C@H]2C#N)cc1OC ZINC000079809319 177562906 /nfs/dbraw/zinc/56/29/06/177562906.db2.gz SOXBNLHWYZSZQP-ZDUSSCGKSA-N 0 0 288.347 2.151 10 30 CEEERN CCN[C@](C#N)(Cn1ncc(Cl)c1C)C1CC1 ZINC000080015149 177595881 /nfs/dbraw/zinc/59/58/81/177595881.db2.gz STMRUUDMACVXEI-GFCCVEGCSA-N 0 0 252.749 2.127 10 30 CEEERN C[C@H](C#N)S(=O)(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC000334898723 225358062 /nfs/dbraw/zinc/35/80/62/225358062.db2.gz UTXIHWQWNMXZPG-GFCCVEGCSA-N 0 0 290.388 2.166 10 30 CEEERN O=C(NCCC1CCOCC1)N[C@@H]1CCCc2c[nH]nc21 ZINC000330069857 228032556 /nfs/dbraw/zinc/03/25/56/228032556.db2.gz HPVQDSWBUUNBIW-CYBMUJFWSA-N 0 0 292.383 2.107 10 30 CEEERN C=CCOc1ccccc1C(=O)N1CC[C@H](CCO)C1 ZINC000126892786 260360061 /nfs/dbraw/zinc/36/00/61/260360061.db2.gz HMPSTCNVVMGAGN-CYBMUJFWSA-N 0 0 275.348 2.096 10 30 CEEERN C[C@@H]1C[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000188675809 262159896 /nfs/dbraw/zinc/15/98/96/262159896.db2.gz ZYZLZTJEAJIRPO-MNOVXSKESA-N 0 0 274.324 2.294 10 30 CEEERN C[C@H](NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)[C@@H]1CCCO1 ZINC000328739360 263851519 /nfs/dbraw/zinc/85/15/19/263851519.db2.gz HWAVSWQSPQPQES-NAKRPEOUSA-N 0 0 254.330 2.265 10 30 CEEERN O=C(NCCC1CCOCC1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000328862569 263882600 /nfs/dbraw/zinc/88/26/00/263882600.db2.gz FQHJWYOLTKDTAF-HUUCEWRRSA-N 0 0 296.411 2.361 10 30 CEEERN C=CCN(C)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000186150523 277841651 /nfs/dbraw/zinc/84/16/51/277841651.db2.gz LIWHWASMIAMDBG-GOEBONIOSA-N 0 0 286.375 2.241 10 30 CEEERN C[C@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000068938097 278440835 /nfs/dbraw/zinc/44/08/35/278440835.db2.gz FAYLXATVYMPNES-IUCAKERBSA-N 0 0 252.264 2.450 10 30 CEEERN N#Cc1nccc2[nH]cc(I)c21 ZINC000014986194 295000655 /nfs/dbraw/zinc/00/06/55/295000655.db2.gz VBAJEABHJIMNHN-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN C[C@H]1CN(c2ccc(C#N)nn2)[C@H](c2ccccc2)CO1 ZINC000301914987 300296606 /nfs/dbraw/zinc/29/66/06/300296606.db2.gz DBBCGDSWCXPMIH-WFASDCNBSA-N 0 0 280.331 2.315 10 30 CEEERN Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061889760 301617032 /nfs/dbraw/zinc/61/70/32/301617032.db2.gz OCURAKXPZHIRKK-PWSUYJOCSA-N 0 0 282.340 2.105 10 30 CEEERN N#Cc1cc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)ccn1 ZINC000343275027 303185586 /nfs/dbraw/zinc/18/55/86/303185586.db2.gz IZSGFWBXNGYAHC-HZPDHXFCSA-N 0 0 283.306 2.405 10 30 CEEERN C#CCCCOC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000170712304 327654939 /nfs/dbraw/zinc/65/49/39/327654939.db2.gz DGVIVWJCTCQCBW-GFCCVEGCSA-N 0 0 281.352 2.343 10 30 CEEERN Cc1ccc(N2CCC[C@H](C(=O)CC#N)C2=O)cc1F ZINC000536950097 330382173 /nfs/dbraw/zinc/38/21/73/330382173.db2.gz FLNWCNJXMUPGAK-GFCCVEGCSA-N 0 0 274.295 2.360 10 30 CEEERN CCCN(CC(=O)NC)c1cc(Cl)ccc1C#N ZINC000062790017 521546656 /nfs/dbraw/zinc/54/66/56/521546656.db2.gz JAHXDRAIYRNGFM-UHFFFAOYSA-N 0 0 265.744 2.174 10 30 CEEERN Cc1ccc(C[C@H](C#N)CO)cc1Br ZINC000299805338 534133641 /nfs/dbraw/zinc/13/36/41/534133641.db2.gz JOGNGGHLBHXUIC-SNVBAGLBSA-N 0 0 254.127 2.432 10 30 CEEERN C=CCN[C@@H](C(=O)OC)c1cccc2cccnc21 ZINC000069503565 518959518 /nfs/dbraw/zinc/95/95/18/518959518.db2.gz FPMFUBPEKSTOCO-CQSZACIVSA-N 0 0 256.305 2.225 10 30 CEEERN CC(=O)N1CCCN(c2ccc(Cl)cc2C#N)CC1 ZINC000052859733 519530459 /nfs/dbraw/zinc/53/04/59/519530459.db2.gz FCARKXHPZWQZIY-UHFFFAOYSA-N 0 0 277.755 2.270 10 30 CEEERN CC(C)CN(C(=O)c1ccc(C#CCCO)cn1)C(C)C ZINC000061862801 519707038 /nfs/dbraw/zinc/70/70/38/519707038.db2.gz RCPGZLLWFGFGAI-UHFFFAOYSA-N 0 0 288.391 2.322 10 30 CEEERN CC(C)N[C@H](C#N)CCOc1ccc2c(c1)CCC(=O)N2 ZINC000062444934 519738138 /nfs/dbraw/zinc/73/81/38/519738138.db2.gz YKZZUJBQRUUDKX-ZDUSSCGKSA-N 0 0 287.363 2.230 10 30 CEEERN CC(C)N[C@](C)(C#N)CSc1nnc2ccccn21 ZINC000061407945 519739327 /nfs/dbraw/zinc/73/93/27/519739327.db2.gz NLOWMEWUQHBARU-CYBMUJFWSA-N 0 0 275.381 2.102 10 30 CEEERN CCCN[C@@H](C#N)CCSc1nc(CCC)cc(=O)[nH]1 ZINC000062454223 519985272 /nfs/dbraw/zinc/98/52/72/519985272.db2.gz CIUZMMZWYSMZPH-GFCCVEGCSA-N 0 0 294.424 2.096 10 30 CEEERN CCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC#N ZINC000050722396 520170119 /nfs/dbraw/zinc/17/01/19/520170119.db2.gz ULWCZQVFYNMLOP-UHFFFAOYSA-N 0 0 290.323 2.402 10 30 CEEERN CCN[C@](C)(C#N)CCOc1ccc([N+](=O)[O-])cc1OC ZINC000050506028 520225017 /nfs/dbraw/zinc/22/50/17/520225017.db2.gz AQIKSPNNVYCPDO-AWEZNQCLSA-N 0 0 293.323 2.264 10 30 CEEERN CCN(CC(=O)c1ccc2c(c1)OCO2)C[C@@H](C)C#N ZINC000050153115 520387547 /nfs/dbraw/zinc/38/75/47/520387547.db2.gz MVNVOWGPVQGSRC-NSHDSACASA-N 0 0 274.320 2.080 10 30 CEEERN CCCCS(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000055373142 520940382 /nfs/dbraw/zinc/94/03/82/520940382.db2.gz RAGAXLPOIUZZHZ-UHFFFAOYSA-N 0 0 252.339 2.294 10 30 CEEERN CCN(CCC#N)C(=O)c1cc(N)ccc1Br ZINC000045624351 520977543 /nfs/dbraw/zinc/97/75/43/520977543.db2.gz LWCBMIUTABCCJV-UHFFFAOYSA-N 0 0 296.168 2.407 10 30 CEEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(N)nc2ccccc21 ZINC000050710010 521188205 /nfs/dbraw/zinc/18/82/05/521188205.db2.gz RYZHXGDIUGNEFZ-NSHDSACASA-N 0 0 282.347 2.439 10 30 CEEERN CCN(C[C@@H](C)C#N)c1c(F)cc(CO)cc1F ZINC000062722245 521188903 /nfs/dbraw/zinc/18/89/03/521188903.db2.gz YUBNLLDAFJPQLB-VIFPVBQESA-N 0 0 254.280 2.443 10 30 CEEERN CCCc1cc(=O)[nH]c(S[C@H](C)C[C@@](C)(C#N)NC)n1 ZINC000068624845 521346434 /nfs/dbraw/zinc/34/64/34/521346434.db2.gz NHYQJFPWBFIIOR-YGRLFVJLSA-N 0 0 294.424 2.095 10 30 CEEERN CC[C@H](CC#N)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000054183410 522086872 /nfs/dbraw/zinc/08/68/72/522086872.db2.gz BTYVLXWJAYCCBJ-DGCLKSJQSA-N 0 0 296.367 2.326 10 30 CEEERN CN[C@@H](C#N)CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000062450211 522316846 /nfs/dbraw/zinc/31/68/46/522316846.db2.gz JZTHYLKSVPUVTA-LLVKDONJSA-N 0 0 263.297 2.092 10 30 CEEERN CN[C@@](C#N)(COc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000069088071 522402614 /nfs/dbraw/zinc/40/26/14/522402614.db2.gz ZBPKNNANEOYFOP-AWEZNQCLSA-N 0 0 275.308 2.174 10 30 CEEERN CCc1nc2ccccc2n1CC[C@@](C)(C#N)NC ZINC000062807911 522500300 /nfs/dbraw/zinc/50/03/00/522500300.db2.gz JOXSHTPLQAECTD-HNNXBMFYSA-N 0 0 256.353 2.490 10 30 CEEERN CC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(C)C ZINC000049147063 522900212 /nfs/dbraw/zinc/90/02/12/522900212.db2.gz IEEMIPZMTCNOKB-CQSZACIVSA-N 0 0 280.393 2.412 10 30 CEEERN CN(Cc1cccs1)c1cccc(/C(N)=N/O)c1 ZINC000061950559 523450801 /nfs/dbraw/zinc/45/08/01/523450801.db2.gz MWRDCOFYVUICRW-UHFFFAOYSA-N 0 0 261.350 2.479 10 30 CEEERN CN1C(=O)c2ccc(N[C@H]3CCCC[C@H]3C#N)cc2C1=O ZINC000054823334 523735595 /nfs/dbraw/zinc/73/55/95/523735595.db2.gz SVAWPMPMPBJRQX-HZMBPMFUSA-N 0 0 283.331 2.407 10 30 CEEERN CCc1ccc(C(=O)N2CCN(C(C)(C)C#N)CC2)s1 ZINC000070139340 523885013 /nfs/dbraw/zinc/88/50/13/523885013.db2.gz TWOXWZMSWANRON-UHFFFAOYSA-N 0 0 291.420 2.370 10 30 CEEERN O=C(NCCNc1nc(C2CC2)nc2c1CCC2)C1CC1 ZINC000329074602 534753346 /nfs/dbraw/zinc/75/33/46/534753346.db2.gz BNSIJFYKGMMZOS-UHFFFAOYSA-N 0 0 286.379 2.043 10 30 CEEERN Cc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1NN ZINC000063059136 524163724 /nfs/dbraw/zinc/16/37/24/524163724.db2.gz PSFQSPWPGPPPHW-UHFFFAOYSA-N 0 0 266.304 2.405 10 30 CEEERN C[C@@H](C/C(N)=N/O)N(C)c1ccc2ccccc2n1 ZINC000063090171 524308126 /nfs/dbraw/zinc/30/81/26/524308126.db2.gz SKSDVJBGUGJQEU-JTQLQIEISA-N 0 0 258.325 2.196 10 30 CEEERN C[C@@H]1CC[C@@H](C#N)[C@H](Sc2n[nH]c(=O)n2C2CC2)C1 ZINC000061595409 524552166 /nfs/dbraw/zinc/55/21/66/524552166.db2.gz QLGAXWDDODCTGH-WCABBAIRSA-N 0 0 278.381 2.327 10 30 CEEERN Cc1ccccc1N(C)C(=O)c1ccc(C#CCO)cn1 ZINC000061863138 525216103 /nfs/dbraw/zinc/21/61/03/525216103.db2.gz NOWLPCUJALDOSO-UHFFFAOYSA-N 0 0 280.327 2.010 10 30 CEEERN CSC[C@H](C)CNc1nnc(C)c(C)c1C#N ZINC000069449422 525685068 /nfs/dbraw/zinc/68/50/68/525685068.db2.gz DIEYAOVQJLJLCF-MRVPVSSYSA-N 0 0 250.371 2.376 10 30 CEEERN COc1cccc(C=O)c1OCc1cccnc1C#N ZINC000061659202 525864009 /nfs/dbraw/zinc/86/40/09/525864009.db2.gz CGPKVWDQCDRXCN-UHFFFAOYSA-N 0 0 268.272 2.353 10 30 CEEERN Cc1ccc(/C(N)=N/O)c(-n2ccc(C3CC3)n2)c1 ZINC000052884306 525941431 /nfs/dbraw/zinc/94/14/31/525941431.db2.gz VCQWHUITPSDJIN-UHFFFAOYSA-N 0 0 256.309 2.153 10 30 CEEERN Cc1ccc(C#N)cc1NC[C@@H](O)COC(C)(C)C ZINC000050430292 526006717 /nfs/dbraw/zinc/00/67/17/526006717.db2.gz KUWVSUPKOWTFFP-CYBMUJFWSA-N 0 0 262.353 2.455 10 30 CEEERN N#CCCN(C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000068875468 526456552 /nfs/dbraw/zinc/45/65/52/526456552.db2.gz ZFUGCRIRTGCBCH-LLVKDONJSA-N 0 0 258.243 2.330 10 30 CEEERN N#CCc1ccc(OC[C@H](O)c2cccc(N)c2)cc1 ZINC000051327479 526486503 /nfs/dbraw/zinc/48/65/03/526486503.db2.gz WFWJUVNMUPEIKI-INIZCTEOSA-N 0 0 268.316 2.447 10 30 CEEERN N#C[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000061614296 526491059 /nfs/dbraw/zinc/49/10/59/526491059.db2.gz UQKCRKPHGACOCF-CQSZACIVSA-N 0 0 251.289 2.005 10 30 CEEERN N#C[C@](N)(Cn1ncc2ccccc21)c1ccccc1 ZINC000050527861 526514414 /nfs/dbraw/zinc/51/44/14/526514414.db2.gz QGUQUYCQCINDKI-INIZCTEOSA-N 0 0 262.316 2.414 10 30 CEEERN N#Cc1ccc(N2CCn3ccnc3C2)c(Cl)c1 ZINC000062793867 526646206 /nfs/dbraw/zinc/64/62/06/526646206.db2.gz LBPSOBWPQILSPP-UHFFFAOYSA-N 0 0 258.712 2.428 10 30 CEEERN Cc1nc(C(=O)NCc2cccc(C#N)c2)cs1 ZINC000049341539 526650214 /nfs/dbraw/zinc/65/02/14/526650214.db2.gz BYKOWFXLEPMOHY-UHFFFAOYSA-N 0 0 257.318 2.253 10 30 CEEERN N#Cc1ccc(OCc2ccnc(N)c2)c([N+](=O)[O-])c1 ZINC000052755745 526677322 /nfs/dbraw/zinc/67/73/22/526677322.db2.gz JQRAKAYJEHJYFF-UHFFFAOYSA-N 0 0 270.248 2.023 10 30 CEEERN N#Cc1cccc(OCCCn2ccc(=O)cc2)c1 ZINC000061628034 526728117 /nfs/dbraw/zinc/72/81/17/526728117.db2.gz CWWPHJMTMDZXQM-UHFFFAOYSA-N 0 0 254.289 2.189 10 30 CEEERN N#Cc1ncccc1COc1ccc2c(c1)OCC2=O ZINC000062805314 526791318 /nfs/dbraw/zinc/79/13/18/526791318.db2.gz ZIFKECXABDGUKT-UHFFFAOYSA-N 0 0 266.256 2.107 10 30 CEEERN N#Cc1nccnc1Sc1ccc([N+](=O)[O-])cc1 ZINC000054380674 526795695 /nfs/dbraw/zinc/79/56/95/526795695.db2.gz YFIDDYMOPAUISN-UHFFFAOYSA-N 0 0 258.262 2.408 10 30 CEEERN C=CCO[C@H]1CCN(c2nnc(CC)c(CC)c2C#N)C1 ZINC000302167648 526822326 /nfs/dbraw/zinc/82/23/26/526822326.db2.gz PFEHQROEWGCAGP-LBPRGKRZSA-N 0 0 286.379 2.254 10 30 CEEERN Cc1nc2ccccc2n(Cc2ccnc(C#N)c2)c1=O ZINC000068767438 527162780 /nfs/dbraw/zinc/16/27/80/527162780.db2.gz HVACZOIFHKWZJB-UHFFFAOYSA-N 0 0 276.299 2.020 10 30 CEEERN 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Cc1cc(C)c(C#N)c(N2CCC[C@@H](n3cncn3)C2)n1 ZINC000173747010 136564269 /nfs/dbraw/zinc/56/42/69/136564269.db2.gz ASOOWCMVQKCTFA-CYBMUJFWSA-N 0 0 282.351 2.003 10 30 CEEERN C=CCN1C(=O)[C@](C)(CC)NC(=O)[C@H]1c1ccccc1 ZINC000085755598 179147051 /nfs/dbraw/zinc/14/70/51/179147051.db2.gz DFJFTNYAJRWGPM-CJNGLKHVSA-N 0 0 272.348 2.041 10 30 CEEERN C=CCN1C(=O)C(CC)(CC)NC(=O)[C@@H]1C(C)(C)C ZINC000085764966 179155333 /nfs/dbraw/zinc/15/53/33/179155333.db2.gz PNGPBCIEKCNCHF-LLVKDONJSA-N 0 0 266.385 2.104 10 30 CEEERN C=CCN1C(=O)[C@H](c2ccccc2)NC(=O)C12CCCC2 ZINC000085759388 179151673 /nfs/dbraw/zinc/15/16/73/179151673.db2.gz FOUHKZWMKRMBDK-AWEZNQCLSA-N 0 0 284.359 2.185 10 30 CEEERN C=CCN1C(=O)[C@@H](C2CCCCC2)NC(=O)[C@@]1(C)CC ZINC000085776321 179159939 /nfs/dbraw/zinc/15/99/39/179159939.db2.gz OMTXVBMNVZSQGC-CZUORRHYSA-N 0 0 278.396 2.248 10 30 CEEERN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2N)cc1 ZINC000085915627 179198781 /nfs/dbraw/zinc/19/87/81/179198781.db2.gz JPYLTYFWGQXAJO-UHFFFAOYSA-N 0 0 287.344 2.250 10 30 CEEERN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1cccc(C#CCO)c1 ZINC000086081119 179227707 /nfs/dbraw/zinc/22/77/07/179227707.db2.gz PGICATODAURAKK-ZENOOKHLSA-N 0 0 271.360 2.195 10 30 CEEERN CN[C@@]1(C#N)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000086604090 179311191 /nfs/dbraw/zinc/31/11/91/179311191.db2.gz JJTOUKYBQJMFJN-MNOVXSKESA-N 0 0 283.173 2.242 10 30 CEEERN N#C[C@@]1(N)CCC[C@@H]1CCn1cc(Br)cn1 ZINC000086533544 179306488 /nfs/dbraw/zinc/30/64/88/179306488.db2.gz IQFFNCHPKIZOGC-KOLCDFICSA-N 0 0 283.173 2.057 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@@]1(C#N)Nc1ccc(F)cc1 ZINC000086677414 179319073 /nfs/dbraw/zinc/31/90/73/179319073.db2.gz QKEFLHQDXWYWNW-STQMWFEESA-N 0 0 282.340 2.097 10 30 CEEERN CCC1CCC(O)(CNc2ncc(N)cc2C#N)CC1 ZINC000087047869 179388061 /nfs/dbraw/zinc/38/80/61/179388061.db2.gz SJQCZGZIGKRQCA-UHFFFAOYSA-N 0 0 274.368 2.279 10 30 CEEERN OCCC#Cc1ccc(OC2CCOCC2)cc1F ZINC000087438480 179426466 /nfs/dbraw/zinc/42/64/66/179426466.db2.gz LNOGKUJGRZARGP-UHFFFAOYSA-N 0 0 264.296 2.117 10 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CEEERN C=CCN(CC=C)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000088755978 179665478 /nfs/dbraw/zinc/66/54/78/179665478.db2.gz KXNXESNUUZXBTI-GFCCVEGCSA-N 0 0 289.383 2.059 10 30 CEEERN CCc1cc(COc2ccc(F)cc2C#CCO)n(C)n1 ZINC000089201493 179752883 /nfs/dbraw/zinc/75/28/83/179752883.db2.gz ZFKLCEDWYITSDE-UHFFFAOYSA-N 0 0 288.322 2.044 10 30 CEEERN N#C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359916 179977052 /nfs/dbraw/zinc/97/70/52/179977052.db2.gz BECWBPDTXMHVIA-GFCCVEGCSA-N 0 0 290.279 2.381 10 30 CEEERN CCC(=O)NCC#CCOc1cccc(Br)c1 ZINC000090731116 180033602 /nfs/dbraw/zinc/03/36/02/180033602.db2.gz NSHBUDNPJXNWOT-UHFFFAOYSA-N 0 0 296.164 2.358 10 30 CEEERN C/C=C/C(=O)NCC#CCOc1ccc(F)cc1F ZINC000090732398 180033690 /nfs/dbraw/zinc/03/36/90/180033690.db2.gz PSHWUGQXYZMUIL-GORDUTHDSA-N 0 0 265.259 2.039 10 30 CEEERN OCC#Cc1cncc(OC[C@@H]2Cc3ccccc32)c1 ZINC000090981009 180078907 /nfs/dbraw/zinc/07/89/07/180078907.db2.gz ZXRFMQPCTFTZRZ-HNNXBMFYSA-N 0 0 265.312 2.144 10 30 CEEERN O=C(Nc1cccc(C#CCO)c1)[C@@H]1Cc2ccccc21 ZINC000090985704 180080847 /nfs/dbraw/zinc/08/08/47/180080847.db2.gz GDVLYOXQAHNXSU-QGZVFWFLSA-N 0 0 277.323 2.309 10 30 CEEERN O=C(NCc1ccc(C#CCO)s1)[C@@H]1Cc2ccccc21 ZINC000090985713 180080880 /nfs/dbraw/zinc/08/08/80/180080880.db2.gz ASSQMUZXHXCXJH-MRXNPFEDSA-N 0 0 297.379 2.048 10 30 CEEERN CCN(CC)C(=O)C[C@H](C#N)Nc1ccc(F)cc1 ZINC000091323064 180134407 /nfs/dbraw/zinc/13/44/07/180134407.db2.gz KVICHABZTYNKET-CYBMUJFWSA-N 0 0 263.316 2.388 10 30 CEEERN CN(C)C(=O)C[C@H](C#N)Nc1ccccc1Cl ZINC000091322493 180134653 /nfs/dbraw/zinc/13/46/53/180134653.db2.gz RKFBCHVTNPFZEK-SECBINFHSA-N 0 0 251.717 2.122 10 30 CEEERN CC(C)N[C@](C#N)(CSC[C@H](C)CO)C1CC1 ZINC000091258219 180115485 /nfs/dbraw/zinc/11/54/85/180115485.db2.gz YRGGYRBMCHWQKT-DGCLKSJQSA-N 0 0 256.415 2.018 10 30 CEEERN C[C@@H](S[C@@H](C)CCO)C(=O)Nc1ccc(C#N)cc1 ZINC000091263207 180116502 /nfs/dbraw/zinc/11/65/02/180116502.db2.gz VTGQJCZPDMJOCU-WDEREUQCSA-N 0 0 278.377 2.389 10 30 CEEERN C[C@@H](CCO)SCc1ccc(C#CCO)cc1 ZINC000091266368 180116852 /nfs/dbraw/zinc/11/68/52/180116852.db2.gz QRAHCNYBFJBOHC-LBPRGKRZSA-N 0 0 250.363 2.035 10 30 CEEERN CCC(CC)NC(=O)[C@@H](C)N1CCC(C#N)(SC)CC1 ZINC000091474005 180165097 /nfs/dbraw/zinc/16/50/97/180165097.db2.gz NPNREFSQAYLWSO-GFCCVEGCSA-N 0 0 297.468 2.401 10 30 CEEERN CSC1(C#N)CCN(C(=O)C2CCCC2)CC1 ZINC000091476675 180165976 /nfs/dbraw/zinc/16/59/76/180165976.db2.gz LHCFRIPEQACHSA-UHFFFAOYSA-N 0 0 252.383 2.424 10 30 CEEERN C=CCN(CC=C)S(=O)(=O)c1c[nH]c2cc(N)ccc21 ZINC000091501432 180174725 /nfs/dbraw/zinc/17/47/25/180174725.db2.gz DHRXSPHKNISRHL-UHFFFAOYSA-N 0 0 291.376 2.113 10 30 CEEERN CC(C)c1nn(C)c(N(C)C[C@@H](C)C#N)c1[N+](=O)[O-] ZINC000091579774 180198240 /nfs/dbraw/zinc/19/82/40/180198240.db2.gz XHNCGOMOQIEANB-VIFPVBQESA-N 0 0 265.317 2.048 10 30 CEEERN O=C(NCc1cccc(C#CCCO)c1)N1CCCCC1 ZINC000091969647 180294900 /nfs/dbraw/zinc/29/49/00/180294900.db2.gz NUFCDVKTIPRGPT-UHFFFAOYSA-N 0 0 286.375 2.116 10 30 CEEERN 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CEEERN N#C[C@@]1(C2(O)CCC(=O)CC2)COc2ccccc2C1 ZINC000091903808 180283517 /nfs/dbraw/zinc/28/35/17/180283517.db2.gz BBOQISQPOSMTEI-OAHLLOKOSA-N 0 0 271.316 2.006 10 30 CEEERN O=C(Nc1cccc(C#CCCO)n1)N1CCCCCC1 ZINC000091971809 180295574 /nfs/dbraw/zinc/29/55/74/180295574.db2.gz WBTWCZMWONNMMY-UHFFFAOYSA-N 0 0 287.363 2.223 10 30 CEEERN CCN(C(C)C)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131123 180329647 /nfs/dbraw/zinc/32/96/47/180329647.db2.gz DVSIMADKXBCDDZ-UHFFFAOYSA-N 0 0 266.366 2.172 10 30 CEEERN C[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2)C[C@@H]1C ZINC000092132441 180329693 /nfs/dbraw/zinc/32/96/93/180329693.db2.gz SOXODKYQHZXYOK-RYUDHWBXSA-N 0 0 278.377 2.029 10 30 CEEERN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1 ZINC000092130868 180329734 /nfs/dbraw/zinc/32/97/34/180329734.db2.gz IOKJPEQYPYXWSE-GFCCVEGCSA-N 0 0 278.377 2.173 10 30 CEEERN Cc1cc(C(=O)Nc2c(C#N)cnn2C)sc1C ZINC000106067926 186100822 /nfs/dbraw/zinc/10/08/22/186100822.db2.gz CGZDKEWVYNCZJX-UHFFFAOYSA-N 0 0 260.322 2.222 10 30 CEEERN 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CEEERN C[C@@H](C#N)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000109448294 186252892 /nfs/dbraw/zinc/25/28/92/186252892.db2.gz STVAHAODWAMOEH-NSHDSACASA-N 0 0 292.770 2.402 10 30 CEEERN C[C@@H](C#N)N1CCN(Cc2ccc(Br)o2)CC1 ZINC000109452158 186252987 /nfs/dbraw/zinc/25/29/87/186252987.db2.gz IEUIKLPFYDRZRN-JTQLQIEISA-N 0 0 298.184 2.072 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000109446039 186253008 /nfs/dbraw/zinc/25/30/08/186253008.db2.gz HDYTWOCBOCGJSS-NSHDSACASA-N 0 0 293.317 2.025 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000109448601 186253110 /nfs/dbraw/zinc/25/31/10/186253110.db2.gz GNGSRQXJOZGFMR-CQSZACIVSA-N 0 0 272.352 2.138 10 30 CEEERN CCC[C@@H](C#N)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000109446752 186253234 /nfs/dbraw/zinc/25/32/34/186253234.db2.gz IKWVAZKGFYFRIZ-HNNXBMFYSA-N 0 0 289.354 2.276 10 30 CEEERN COc1ccc(Cl)cc1CN1CCN([C@H](C)C#N)CC1 ZINC000109453345 186254371 /nfs/dbraw/zinc/25/43/71/186254371.db2.gz VQLMJKFMLBYZRG-GFCCVEGCSA-N 0 0 293.798 2.378 10 30 CEEERN N#CCSc1ccccc1C(=O)Nc1ncc[nH]1 ZINC000110536191 186301635 /nfs/dbraw/zinc/30/16/35/186301635.db2.gz UJESDPRGNCBSHC-UHFFFAOYSA-N 0 0 258.306 2.278 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000110540071 186302491 /nfs/dbraw/zinc/30/24/91/186302491.db2.gz NJXZDKOMJBAZTL-HZSPNIEDSA-N 0 0 270.332 2.046 10 30 CEEERN C[C@@H](Sc1cnccn1)C(=O)Nc1ccc(C#N)cc1 ZINC000110913236 186332079 /nfs/dbraw/zinc/33/20/79/186332079.db2.gz XZPSAUKYCROPGA-SNVBAGLBSA-N 0 0 284.344 2.468 10 30 CEEERN CN[C@@](C#N)(CSc1cnccn1)c1ccccc1 ZINC000110914366 186332916 /nfs/dbraw/zinc/33/29/16/186332916.db2.gz UPOUXIWUOOROLT-AWEZNQCLSA-N 0 0 270.361 2.207 10 30 CEEERN CCC[C@H](C)NC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110949922 186336027 /nfs/dbraw/zinc/33/60/27/186336027.db2.gz HSIBTNTTXBKSHR-LBPRGKRZSA-N 0 0 284.363 2.407 10 30 CEEERN CCOCCN(CC)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000111119324 186355413 /nfs/dbraw/zinc/35/54/13/186355413.db2.gz KIWOMRLTNSRXPC-CYBMUJFWSA-N 0 0 289.379 2.244 10 30 CEEERN N#C[C@@H](N)CCOc1ccc([N+](=O)[O-])c2ccccc12 ZINC000111128606 186356526 /nfs/dbraw/zinc/35/65/26/186356526.db2.gz ZHJDSKHAAZJQDI-JTQLQIEISA-N 0 0 271.276 2.368 10 30 CEEERN COc1ccccc1CN(C)c1c(C#N)c(C)nn1C ZINC000111355546 186404138 /nfs/dbraw/zinc/40/41/38/186404138.db2.gz MKNZOEXRICGZLC-UHFFFAOYSA-N 0 0 270.336 2.245 10 30 CEEERN CCN(Cc1ccco1)C(=O)c1ccc(C#N)cn1 ZINC000111276152 186386747 /nfs/dbraw/zinc/38/67/47/186386747.db2.gz LRSOBRFIRDJIKN-UHFFFAOYSA-N 0 0 255.277 2.209 10 30 CEEERN Cc1ccc(NC(=O)c2ccc(C#N)cn2)c(N)c1 ZINC000111280553 186387595 /nfs/dbraw/zinc/38/75/95/186387595.db2.gz IVMLZKXJSQZQBN-UHFFFAOYSA-N 0 0 252.277 2.096 10 30 CEEERN C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1C#CCO ZINC000111536723 186427115 /nfs/dbraw/zinc/42/71/15/186427115.db2.gz UONGAWHIZSPLCQ-PWSUYJOCSA-N 0 0 263.362 2.010 10 30 CEEERN CC1(C)CCCN1C(=O)c1sccc1C#CCCO ZINC000111536601 186427251 /nfs/dbraw/zinc/42/72/51/186427251.db2.gz YKZFUCYWHMRUIX-UHFFFAOYSA-N 0 0 277.389 2.497 10 30 CEEERN N#C[C@H](C(=O)NCCc1cscn1)c1ccccc1 ZINC000111629743 186433549 /nfs/dbraw/zinc/43/35/49/186433549.db2.gz QKNCFPQIQNQSQY-ZDUSSCGKSA-N 0 0 271.345 2.109 10 30 CEEERN C[C@@H](Nc1ccc(C#N)cn1)c1nnc2n1CCCC2 ZINC000131062166 366017075 /nfs/dbraw/zinc/01/70/75/366017075.db2.gz OGOKGBKZYCMIPJ-SNVBAGLBSA-N 0 0 268.324 2.054 10 30 CEEERN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)nc1 ZINC000113888772 186598062 /nfs/dbraw/zinc/59/80/62/186598062.db2.gz CNIJPCWKTLNFAZ-AWEZNQCLSA-N 0 0 281.319 2.044 10 30 CEEERN Cc1nnc(N[C@@H](C)c2nnc3n2CCCC3)c(C#N)c1C ZINC000131140365 366024128 /nfs/dbraw/zinc/02/41/28/366024128.db2.gz RYFZDZJKYOOMQZ-NSHDSACASA-N 0 0 297.366 2.066 10 30 CEEERN Cn1cc([C@H]2CCCN2c2cccc(C#N)n2)cn1 ZINC000122807494 187052664 /nfs/dbraw/zinc/05/26/64/187052664.db2.gz YVCUOVOHQCNVDD-CYBMUJFWSA-N 0 0 253.309 2.028 10 30 CEEERN CCC[C@H](NC(=O)c1cc(C#N)c[nH]1)C(=O)OC(C)(C)C ZINC000154201952 188129417 /nfs/dbraw/zinc/12/94/17/188129417.db2.gz RGSYKSJESNECRO-NSHDSACASA-N 0 0 291.351 2.127 10 30 CEEERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000154342569 188136558 /nfs/dbraw/zinc/13/65/58/188136558.db2.gz SDBBYJGGEHFMGN-VIFPVBQESA-N 0 0 293.754 2.311 10 30 CEEERN COc1cc(C#N)ccc1OCCN1C[C@@H](C)O[C@H](C)C1 ZINC000157307284 188309042 /nfs/dbraw/zinc/30/90/42/188309042.db2.gz GAPUJOKLIABIGE-CHWSQXEVSA-N 0 0 290.363 2.055 10 30 CEEERN COC(=O)Cc1c(F)cc(OC(F)(F)F)cc1C#N ZINC000575390463 366267142 /nfs/dbraw/zinc/26/71/42/366267142.db2.gz OHCUZWPNWLTIGU-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN COC(=O)Cc1c(F)c(C#N)ccc1OC(F)(F)F ZINC000575390481 366267844 /nfs/dbraw/zinc/26/78/44/366267844.db2.gz PFTCVBLVVWHEFB-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN COC(=O)Cc1c(OC(F)(F)F)ccc(F)c1C#N ZINC000575390437 366267846 /nfs/dbraw/zinc/26/78/46/366267846.db2.gz LVLYSRJDYPWGHA-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(C=O)cc1C(F)(F)F ZINC000575391410 366268284 /nfs/dbraw/zinc/26/82/84/366268284.db2.gz MCMPKODXXYMTPD-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)c1cc(C#N)c(C(F)(F)F)cc1O ZINC000575392280 366270959 /nfs/dbraw/zinc/27/09/59/366270959.db2.gz QOVFTDFTFDIQLQ-UHFFFAOYSA-N 0 0 259.183 2.459 10 30 CEEERN CCOC(=O)Cc1cc(OC(F)(F)F)c(C#N)cc1O ZINC000575392178 366271020 /nfs/dbraw/zinc/27/10/20/366271020.db2.gz OFJHPKTZBILWHU-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(O)cc1C(F)(F)F ZINC000575392014 366271175 /nfs/dbraw/zinc/27/11/75/366271175.db2.gz LHACJUNYZYJILW-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN COC(=O)Cc1cc(OC)c(C#N)cc1OC(F)(F)F ZINC000575394049 366272463 /nfs/dbraw/zinc/27/24/63/366272463.db2.gz GYNQQABBLALJRC-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(OC)c1C(F)(F)F ZINC000575394000 366272815 /nfs/dbraw/zinc/27/28/15/366272815.db2.gz CKRFQQKSCGFFOL-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(OC)c1OC(F)(F)F ZINC000575395143 366274693 /nfs/dbraw/zinc/27/46/93/366274693.db2.gz XZKJWVWYYMWJRM-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1C#N ZINC000575395639 366276060 /nfs/dbraw/zinc/27/60/60/366276060.db2.gz LWPWSCKZVHDZFZ-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN COC(=O)c1cc(C#N)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575395971 366276958 /nfs/dbraw/zinc/27/69/58/366276958.db2.gz YWNDFRNRVLXDIR-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN O=C(C1=COCC1)c1ncsc1Br ZINC000575479085 366292071 /nfs/dbraw/zinc/29/20/71/366292071.db2.gz QJPSKFGALOMNKZ-UHFFFAOYSA-N 0 0 260.112 2.393 10 30 CEEERN C=CCNC(=O)/C=C/c1ccc(Br)cn1 ZINC000575601527 366298813 /nfs/dbraw/zinc/29/88/13/366298813.db2.gz DMWBVOGBKBGVPZ-AATRIKPKSA-N 0 0 267.126 2.160 10 30 CEEERN N#CCc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575648014 366311728 /nfs/dbraw/zinc/31/17/28/366311728.db2.gz JFFQWTKYYRKOSQ-UHFFFAOYSA-N 0 0 271.154 2.431 10 30 CEEERN N#Cc1cc(F)ccc1NCCC(=O)N1CCCC1 ZINC000134624610 366347826 /nfs/dbraw/zinc/34/78/26/366347826.db2.gz HIEPTNJSZUYKRD-UHFFFAOYSA-N 0 0 261.300 2.122 10 30 CEEERN 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C=CCN[C@@H](C(=O)OCC)c1ccc(OCC)cc1 ZINC000051961713 518959853 /nfs/dbraw/zinc/95/98/53/518959853.db2.gz AWYUVNUREADZFJ-CQSZACIVSA-N 0 0 263.337 2.465 10 30 CEEERN C=CCN[C@@H](C(=O)OCC)c1cccc(OC)c1OC ZINC000051961678 518960016 /nfs/dbraw/zinc/96/00/16/518960016.db2.gz ZNMKQKUFEUDNCB-CYBMUJFWSA-N 0 0 279.336 2.084 10 30 CEEERN C=CCOc1nc(Cl)nc(N2CCCCC2)n1 ZINC000061520331 519074722 /nfs/dbraw/zinc/07/47/22/519074722.db2.gz XATVDOOKVGZIDS-UHFFFAOYSA-N 0 0 254.721 2.080 10 30 CEEERN CC(C)(C)n1ccnc(NCc2cccc(C#N)c2)c1=O ZINC000061763583 519167073 /nfs/dbraw/zinc/16/70/73/519167073.db2.gz QFGZAHCAELALEI-UHFFFAOYSA-N 0 0 282.347 2.482 10 30 CEEERN CC(C)CC(=O)NCc1cc(C#CCCO)ccc1F ZINC000049589593 519596817 /nfs/dbraw/zinc/59/68/17/519596817.db2.gz NZPHQDQAXAPPDW-UHFFFAOYSA-N 0 0 277.339 2.222 10 30 CEEERN CC(C)N[C@H](C#N)CCN1CCN(c2ccccc2)CC1 ZINC000062367787 519738131 /nfs/dbraw/zinc/73/81/31/519738131.db2.gz HGSQXIGEACHHIT-INIZCTEOSA-N 0 0 286.423 2.089 10 30 CEEERN CC(C)N[C@](C#N)(COCCOC(C)C)C1CC1 ZINC000069086330 519738691 /nfs/dbraw/zinc/73/86/91/519738691.db2.gz PXQXLMIZQITGRV-CQSZACIVSA-N 0 0 254.374 2.098 10 30 CEEERN CC(C)N[C@](C#N)(COC[C@H]1CCCCO1)C1CC1 ZINC000069086256 519739231 /nfs/dbraw/zinc/73/92/31/519739231.db2.gz VLEHJXKGYSLTDG-HUUCEWRRSA-N 0 0 266.385 2.242 10 30 CEEERN CCCNC(=O)[C@H](C)N[C@H](CC#N)c1ccccc1 ZINC000055018045 519892947 /nfs/dbraw/zinc/89/29/47/519892947.db2.gz VVRSWDXOTWQMPN-GXTWGEPZSA-N 0 0 259.353 2.146 10 30 CEEERN CCCN[C@@H](C#N)CCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000062449880 519984971 /nfs/dbraw/zinc/98/49/71/519984971.db2.gz CAMORHRLTBDBEU-GFCCVEGCSA-N 0 0 288.307 2.127 10 30 CEEERN CCCN[C@@H](C#N)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050441993 519985165 /nfs/dbraw/zinc/98/51/65/519985165.db2.gz UBGVZJVTDALRSE-LBPRGKRZSA-N 0 0 277.324 2.482 10 30 CEEERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)c1ccc(C#N)cc1 ZINC000152123985 520028580 /nfs/dbraw/zinc/02/85/80/520028580.db2.gz DOQDPJQSTPGNNV-FZMZJTMJSA-N 0 0 258.321 2.479 10 30 CEEERN CCCN[C@@](C#N)(CN(C)CC(F)(F)F)C1CC1 ZINC000069078727 520029314 /nfs/dbraw/zinc/02/93/14/520029314.db2.gz WKRPINULQONJGV-NSHDSACASA-N 0 0 263.307 2.152 10 30 CEEERN CCCN[C@@](C#N)(CN(CC)CCOCC)C1CC1 ZINC000069083820 520029827 /nfs/dbraw/zinc/02/98/27/520029827.db2.gz OLGLJTOSBLHBRD-HNNXBMFYSA-N 0 0 267.417 2.017 10 30 CEEERN CCCN[C@@](C#N)(CSCCCOC)C1CC1 ZINC000069095071 520032897 /nfs/dbraw/zinc/03/28/97/520032897.db2.gz HFNUDJGGNHKAMX-ZDUSSCGKSA-N 0 0 256.415 2.428 10 30 CEEERN CCCN[C@H](C#N)CCN(C)c1cccc(OC)c1 ZINC000062438215 520059167 /nfs/dbraw/zinc/05/91/67/520059167.db2.gz OMYOGBXERUOCLN-ZDUSSCGKSA-N 0 0 261.369 2.413 10 30 CEEERN CCN[C@H](C#N)CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000062450720 520162075 /nfs/dbraw/zinc/16/20/75/520162075.db2.gz ZTZCWLIXBZQOJI-JTQLQIEISA-N 0 0 267.260 2.004 10 30 CEEERN CCCOCCC(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691621 520252723 /nfs/dbraw/zinc/25/27/23/520252723.db2.gz ZLDWKGOMJFHTTH-UHFFFAOYSA-N 0 0 295.766 2.439 10 30 CEEERN CCCOCCOC[C@](C#N)(NC(C)C)C1CC1 ZINC000069089556 520257621 /nfs/dbraw/zinc/25/76/21/520257621.db2.gz TYDQUMDOGBWSRX-AWEZNQCLSA-N 0 0 254.374 2.100 10 30 CEEERN CC1(C)CN(Cc2ccc(C#CCCO)cc2F)CCO1 ZINC000049613248 520474858 /nfs/dbraw/zinc/47/48/58/520474858.db2.gz PRFKYISLTZPRDS-UHFFFAOYSA-N 0 0 291.366 2.170 10 30 CEEERN CCN(CCC#N)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050708994 520977124 /nfs/dbraw/zinc/97/71/24/520977124.db2.gz SLVHZCSHLDUOAO-UHFFFAOYSA-N 0 0 296.714 2.206 10 30 CEEERN CCN(CCC#N)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816446 520980507 /nfs/dbraw/zinc/98/05/07/520980507.db2.gz LWRSHOAVZSCGMG-UHFFFAOYSA-N 0 0 262.313 2.372 10 30 CEEERN CCCC[C@@H](C)NC(=O)c1ccccc1C#CCO ZINC000050890934 521005654 /nfs/dbraw/zinc/00/56/54/521005654.db2.gz LAVLPLTVLWYXEE-CYBMUJFWSA-N 0 0 259.349 2.339 10 30 CEEERN CCOC(=O)[C@@H]1CCCN(c2cc(C)nc(C)c2C#N)C1 ZINC000156551779 521121216 /nfs/dbraw/zinc/12/12/16/521121216.db2.gz AKTKNTBIZTUBAH-CYBMUJFWSA-N 0 0 287.363 2.350 10 30 CEEERN CC[N@H+](Cc1cn2ccccc2c1C#N)[C@H](C)CC(=O)[O-] ZINC000061182753 521430440 /nfs/dbraw/zinc/43/04/40/521430440.db2.gz ZMYKOBCTOKMCPP-GFCCVEGCSA-N 0 0 285.347 2.496 10 30 CEEERN CCCn1c(S[C@H]2CCCC[C@H]2C#N)n[nH]c1=O ZINC000061595451 521635508 /nfs/dbraw/zinc/63/55/08/521635508.db2.gz BRJYXVFRFULVIT-UWVGGRQHSA-N 0 0 266.370 2.156 10 30 CEEERN CCOC1CCN(C[C@@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069078877 521656044 /nfs/dbraw/zinc/65/60/44/521656044.db2.gz HJDNONNNGOHWGW-MRXNPFEDSA-N 0 0 279.428 2.158 10 30 CEEERN CN[C@@H](C#N)CCOc1cccc2ccc(C)nc21 ZINC000062447699 522317346 /nfs/dbraw/zinc/31/73/46/522317346.db2.gz FAURCTJKHOQLRM-CYBMUJFWSA-N 0 0 255.321 2.424 10 30 CEEERN CN[C@](C#N)(CN1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000069082247 522510601 /nfs/dbraw/zinc/51/06/01/522510601.db2.gz YTLCBPLDODVRJT-DOTOQJQBSA-N 0 0 269.392 2.368 10 30 CEEERN CC[C@H](NC(=O)c1cc(F)ccc1C#CCO)C(C)C ZINC000049148476 522524262 /nfs/dbraw/zinc/52/42/62/522524262.db2.gz YYUCUODYHYQGOV-HNNXBMFYSA-N 0 0 277.339 2.334 10 30 CEEERN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cncc(C#CCO)c1 ZINC000049628827 523196025 /nfs/dbraw/zinc/19/60/25/523196025.db2.gz DCSNJRABMLVBQO-ZBFHGGJFSA-N 0 0 286.375 2.124 10 30 CEEERN CN(Cc1ccc(F)c(C#CCO)c1)Cc1ccccn1 ZINC000049618631 523238911 /nfs/dbraw/zinc/23/89/11/523238911.db2.gz IBRCKFSOCNZCBU-UHFFFAOYSA-N 0 0 284.334 2.197 10 30 CEEERN CN(Cc1cccc(C#CCCO)c1)C(=O)NC(C)(C)C ZINC000049589967 523290213 /nfs/dbraw/zinc/29/02/13/523290213.db2.gz WXTBVHVJUDBAIN-UHFFFAOYSA-N 0 0 288.391 2.360 10 30 CEEERN CN(Cc1cccc(C#N)c1)c1ncnc(Cl)c1N ZINC000062364667 523295750 /nfs/dbraw/zinc/29/57/50/523295750.db2.gz RHAPJPKKHPDWTJ-UHFFFAOYSA-N 0 0 273.727 2.220 10 30 CEEERN CN(c1cccc(C#N)c1)c1ncc([N+](=O)[O-])cn1 ZINC000061957412 523644857 /nfs/dbraw/zinc/64/48/57/523644857.db2.gz LYOWUBLVELOCFK-UHFFFAOYSA-N 0 0 255.237 2.024 10 30 CEEERN CC[C@H](C(=O)N[C@@H](CC)C1CCCCC1)/C(N)=N/O ZINC000052344541 523790066 /nfs/dbraw/zinc/79/00/66/523790066.db2.gz ZQUPXCKMYXFBFD-RYUDHWBXSA-N 0 0 269.389 2.234 10 30 CEEERN COc1ccc(C)cc1[C@H](C#N)C(=O)[C@@H]1CCOC1 ZINC000048627119 523855066 /nfs/dbraw/zinc/85/50/66/523855066.db2.gz XPPYGNOBJHGTCY-YPMHNXCESA-N 0 0 259.305 2.216 10 30 CEEERN CN(C(=O)c1cccc(F)c1NN)c1cccc(C#N)c1 ZINC000061949966 523945264 /nfs/dbraw/zinc/94/52/64/523945264.db2.gz GFTMDLHQZGATCB-UHFFFAOYSA-N 0 0 284.294 2.260 10 30 CEEERN CNC(=O)[C@@H]1CCCCN1c1cc(Cl)ccc1C#N ZINC000062790020 524081718 /nfs/dbraw/zinc/08/17/18/524081718.db2.gz NGHWPVLGGRFAMS-LBPRGKRZSA-N 0 0 277.755 2.317 10 30 CEEERN Cc1cccc(=O)n1Cc1ccc(F)cc1C#CCCO ZINC000049619481 524157599 /nfs/dbraw/zinc/15/75/99/524157599.db2.gz JUZNDRIQWNLSLU-UHFFFAOYSA-N 0 0 285.318 2.078 10 30 CEEERN Cc1cc(C(=O)OCc2ccnc(C#N)c2)ccc1N ZINC000068759993 524196180 /nfs/dbraw/zinc/19/61/80/524196180.db2.gz JIELJPSUUNOKKQ-UHFFFAOYSA-N 0 0 267.288 2.201 10 30 CEEERN C[C@@H](CC1CC1)NC(=O)c1cc(C#CCCO)ccc1F ZINC000070108632 524426180 /nfs/dbraw/zinc/42/61/80/524426180.db2.gz FPROFYUDMFTGKA-LBPRGKRZSA-N 0 0 289.350 2.478 10 30 CEEERN C[C@@H]1CCC[C@](CO)(NC(=O)c2ccc(C#N)cc2)C1 ZINC000053104178 524430772 /nfs/dbraw/zinc/43/07/72/524430772.db2.gz NALHOKMAGWQLMH-WBMJQRKESA-N 0 0 272.348 2.229 10 30 CEEERN C[C@H]1CN(Cc2ccccc2C#CCCO)C[C@H](C)O1 ZINC000049615867 524634037 /nfs/dbraw/zinc/63/40/37/524634037.db2.gz GMNAQOYXCFJJMK-GJZGRUSLSA-N 0 0 273.376 2.030 10 30 CEEERN C[C@@H](Cc1ccc(F)cc1)NC(=O)C1(C#N)CCOCC1 ZINC000062034111 524891958 /nfs/dbraw/zinc/89/19/58/524891958.db2.gz CNBXBTLXFZLCKV-LBPRGKRZSA-N 0 0 290.338 2.193 10 30 CEEERN COc1nc(Cl)nc(Nc2cc(C#N)ccc2C)n1 ZINC000061515175 524974578 /nfs/dbraw/zinc/97/45/78/524974578.db2.gz AKUMJVGREYGRSZ-UHFFFAOYSA-N 0 0 275.699 2.457 10 30 CEEERN C[C@H](NC(=O)NC(C)(C)C)c1cccc(C#CCO)c1 ZINC000049589946 525050095 /nfs/dbraw/zinc/05/00/95/525050095.db2.gz VGWXLRSGXNKJAD-LBPRGKRZSA-N 0 0 274.364 2.189 10 30 CEEERN CS(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000054823820 525260311 /nfs/dbraw/zinc/26/03/11/525260311.db2.gz RQGAIKOLKZWPPY-MFKMUULPSA-N 0 0 264.350 2.194 10 30 CEEERN CSCCCNC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000069461527 525476013 /nfs/dbraw/zinc/47/60/13/525476013.db2.gz VNTCBHASIGBZLZ-UHFFFAOYSA-N 0 0 295.379 2.043 10 30 CEEERN Cc1ccoc1C(=O)NCc1ccc(C#CCCO)cc1 ZINC000049589150 525784746 /nfs/dbraw/zinc/78/47/46/525784746.db2.gz WWPUDHBLPGVBCN-UHFFFAOYSA-N 0 0 283.327 2.252 10 30 CEEERN COc1cccc(N(C)CC[C@H](C#N)NC(C)C)c1 ZINC000062438224 526131725 /nfs/dbraw/zinc/13/17/25/526131725.db2.gz PMDYCOIZQXICIE-CYBMUJFWSA-N 0 0 261.369 2.412 10 30 CEEERN Cc1nnc(SCC[C@@](C)(C#N)NC(C)C)o1 ZINC000051038749 526385562 /nfs/dbraw/zinc/38/55/62/526385562.db2.gz ZKHAVHLUBRTPPW-NSHDSACASA-N 0 0 254.359 2.141 10 30 CEEERN N#CCCN(Cc1nnsc1N)c1ccccc1 ZINC000050812337 526458940 /nfs/dbraw/zinc/45/89/40/526458940.db2.gz SXWRKFXOPXKRQR-UHFFFAOYSA-N 0 0 259.338 2.041 10 30 CEEERN N#C[C@@H](C(=O)[C@H]1CCCCO1)c1ccc2c(c1)OCCO2 ZINC000050963952 526492243 /nfs/dbraw/zinc/49/22/43/526492243.db2.gz NYYWXFQHPIJOKS-TZMCWYRMSA-N 0 0 287.315 2.203 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCO2 ZINC000061888437 526502145 /nfs/dbraw/zinc/50/21/45/526502145.db2.gz BAGDABSVRLRXSG-QWHCGFSZSA-N 0 0 256.305 2.044 10 30 CEEERN N#C[C@@](N)(Cn1ccnc1-c1cccs1)C1CC1 ZINC000069084774 526502457 /nfs/dbraw/zinc/50/24/57/526502457.db2.gz GBCFHZQQPPZKFO-CYBMUJFWSA-N 0 0 258.350 2.243 10 30 CEEERN N#C[C@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000061614297 526506248 /nfs/dbraw/zinc/50/62/48/526506248.db2.gz UQKCRKPHGACOCF-AWEZNQCLSA-N 0 0 251.289 2.005 10 30 CEEERN N#C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000061614041 526506314 /nfs/dbraw/zinc/50/63/14/526506314.db2.gz ZCLSBTTZNOOYMV-AWEZNQCLSA-N 0 0 279.299 2.031 10 30 CEEERN N#Cc1cc(COC(=O)c2cc(N)c(F)cc2F)ccn1 ZINC000068760208 526551321 /nfs/dbraw/zinc/55/13/21/526551321.db2.gz RBIBDFIPWKDQMS-UHFFFAOYSA-N 0 0 289.241 2.171 10 30 CEEERN N#Cc1ccc(C(=O)CN2CCCCCC2=O)cc1 ZINC000050129196 526587183 /nfs/dbraw/zinc/58/71/83/526587183.db2.gz AHWRKQGQBRRYJW-UHFFFAOYSA-N 0 0 256.305 2.144 10 30 CEEERN N#Cc1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 ZINC000070217890 526713133 /nfs/dbraw/zinc/71/31/33/526713133.db2.gz KEFXHCPPOOGKFX-UHFFFAOYSA-N 0 0 262.656 2.365 10 30 CEEERN N#Cc1ncccc1COc1cccc([N+](=O)[O-])c1 ZINC000061664929 526791743 /nfs/dbraw/zinc/79/17/43/526791743.db2.gz KHZGMJMQRPLJJC-UHFFFAOYSA-N 0 0 255.233 2.440 10 30 CEEERN Cc1nc(N)sc1C(=O)N(CC#N)Cc1ccccc1 ZINC000055174484 526954225 /nfs/dbraw/zinc/95/42/25/526954225.db2.gz GWAWGQDSODCOKS-UHFFFAOYSA-N 0 0 286.360 2.200 10 30 CEEERN Cn1cc(S[C@@H](C/C(N)=N/O)c2ccccc2)cn1 ZINC000055023159 527291588 /nfs/dbraw/zinc/29/15/88/527291588.db2.gz LMRQQZYNKMUCKQ-LBPRGKRZSA-N 0 0 276.365 2.390 10 30 CEEERN Cn1ccnc1CCN[C@H](CC#N)c1ccccc1 ZINC000055018830 527430222 /nfs/dbraw/zinc/43/02/22/527430222.db2.gz YJIYHXOCMXJLHR-CQSZACIVSA-N 0 0 254.337 2.207 10 30 CEEERN Cc1nccn1Cc1ccc(F)c(C#CCCO)c1 ZINC000049619086 527448652 /nfs/dbraw/zinc/44/86/52/527448652.db2.gz WFLMMPIWZCTCER-UHFFFAOYSA-N 0 0 258.296 2.113 10 30 CEEERN OCC#Cc1cc(F)ccc1Cn1cc(Cl)cn1 ZINC000049619513 527517502 /nfs/dbraw/zinc/51/75/02/527517502.db2.gz NYVSRZIKXBLGAS-UHFFFAOYSA-N 0 0 264.687 2.068 10 30 CEEERN OCC#Cc1ccc(COCC2CCOCC2)s1 ZINC000052156075 527520010 /nfs/dbraw/zinc/52/00/10/527520010.db2.gz RLONGBTXDCQJBR-UHFFFAOYSA-N 0 0 266.362 2.035 10 30 CEEERN Cc1ccccc1N1CCC[C@@H](C(=O)C(C)C#N)C1=O ZINC000536951146 566980757 /nfs/dbraw/zinc/98/07/57/566980757.db2.gz PPFMHTKOEVQSHO-OLZOCXBDSA-N 0 0 270.332 2.467 10 30 CEEERN CCCCCCC[C@H](O)[C@H](O)CC#CC#C[C@@H](O)CC ZINC000100776589 571822170 /nfs/dbraw/zinc/82/21/70/571822170.db2.gz ZEWGSHDZCDJZJF-YESZJQIVSA-N 0 0 280.408 2.237 10 30 endogenous,in-man CEEERN CCc1nc(C#N)cc(N[C@@H]2COc3ccccc32)n1 ZINC000308181070 623597874 /nfs/dbraw/zinc/59/78/74/623597874.db2.gz GGWPQTSDDQFVGB-GFCCVEGCSA-N 0 0 266.304 2.456 10 30 CEEERN CCn1cc(/C=C\C(=O)c2cc(=O)cc(C)o2)c(C)n1 ZINC000096577715 632390056 /nfs/dbraw/zinc/39/00/56/632390056.db2.gz NGHCAKIZUJXIQM-WAYWQWQTSA-N 0 0 272.304 2.369 10 30 CEEERN C[C@H](OC(=O)c1sccc1C#N)[C@@H]1CCOC1 ZINC000175239491 641317746 /nfs/dbraw/zinc/31/77/46/641317746.db2.gz QSOSNLCPJAYHJH-WCBMZHEXSA-N 0 0 251.307 2.202 10 30 CEEERN C#CCOc1cccc(COC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000124533794 649682751 /nfs/dbraw/zinc/68/27/51/649682751.db2.gz PHWQRRWTLXEXEX-WFASDCNBSA-N 0 0 274.316 2.309 10 30 CEEERN C[C@H](C#N)NC(=O)c1cccnc1SC(F)(F)F ZINC000125074756 649790138 /nfs/dbraw/zinc/79/01/38/649790138.db2.gz MNCNLRLMLNCEGL-ZCFIWIBFSA-N 0 0 275.255 2.335 10 30 CEEERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000135337619 652966282 /nfs/dbraw/zinc/96/62/82/652966282.db2.gz WYTQXYWRVYZCRD-KWQFWETISA-N 0 0 263.272 2.258 10 30 CEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C#N)cc1C ZINC000128817075 282100188 /nfs/dbraw/zinc/10/01/88/282100188.db2.gz LYNQDRJPSXYBRA-AWEZNQCLSA-N 0 0 295.346 2.032 10 30 CEEERN Cc1n[nH]c(C)c1C(=O)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000096601658 185108023 /nfs/dbraw/zinc/10/80/23/185108023.db2.gz RYIYWOSFOAXJGT-UHFFFAOYSA-N 0 0 285.263 2.059 10 30 CEEERN C=CCN(CC(=O)c1c[nH]c2ccccc21)C(C)=O ZINC000096775587 185111955 /nfs/dbraw/zinc/11/19/55/185111955.db2.gz IMOUQJHBLGKMFC-UHFFFAOYSA-N 0 0 256.305 2.385 10 30 CEEERN CSC[C@H](C)CNC(=O)COc1ccc(C#N)cc1 ZINC000083412457 178420400 /nfs/dbraw/zinc/42/04/00/178420400.db2.gz IXMNRVONBGGMPU-LLVKDONJSA-N 0 0 278.377 2.052 10 30 CEEERN Cc1n[nH]c(C)c1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000037131483 361897962 /nfs/dbraw/zinc/89/79/62/361897962.db2.gz QIJRYYLSPVIKHK-UHFFFAOYSA-N 0 0 271.280 2.419 10 30 CEEERN CCOC(C#CC[C@H](O)Cc1ccccc1)OCC ZINC000725254093 539200127 /nfs/dbraw/zinc/20/01/27/539200127.db2.gz HFZRGCBIPIYKRX-HNNXBMFYSA-N 0 0 262.349 2.383 10 30 CEEERN CC(C)NC(=NN)c1ccc(Br)s1 ZINC000042036194 362056596 /nfs/dbraw/zinc/05/65/96/362056596.db2.gz BVCAWUMZDOAUFJ-UHFFFAOYSA-N 0 0 262.176 2.129 10 30 CEEERN C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000010744741 343364223 /nfs/dbraw/zinc/36/42/23/343364223.db2.gz GQTRNEJCNXYTSH-CHWSQXEVSA-N 0 0 272.348 2.127 10 30 CEEERN CCCCCCNC(=O)c1ccc(C(=O)NO)cc1 ZINC000034018027 343419125 /nfs/dbraw/zinc/41/91/25/343419125.db2.gz RXMKCUSEEQCYMG-UHFFFAOYSA-N 0 0 264.325 2.116 10 30 CEEERN C=C(C)CN1c2ccc(NC(C)=O)cc2O[C@@H](C)C1=O ZINC000012295633 136378764 /nfs/dbraw/zinc/37/87/64/136378764.db2.gz VKSOIZVYWWCVGY-JTQLQIEISA-N 0 0 274.320 2.335 10 30 CEEERN CCCCCCCCCC(=O)NCc1cnc(N)nc1N ZINC000043380015 343463266 /nfs/dbraw/zinc/46/32/66/343463266.db2.gz XDSQHQIVNXBENM-UHFFFAOYSA-N 0 0 293.415 2.398 10 30 CEEERN N#Cc1nc(NC[C@H]2CCC[C@H]2O)ccc1Cl ZINC000078497707 343954976 /nfs/dbraw/zinc/95/49/76/343954976.db2.gz YHHRRTBOZFLJBT-LDYMZIIASA-N 0 0 251.717 2.180 10 30 CEEERN N#Cc1cnc2ccn(S(=O)(=O)c3ccccc3)c2c1 ZINC000095920152 344237728 /nfs/dbraw/zinc/23/77/28/344237728.db2.gz ANFJYAOIEYGGMT-UHFFFAOYSA-N 0 0 283.312 2.145 10 30 CEEERN Cc1cc(COc2cccc([N+](=O)[O-])c2C#N)no1 ZINC000114235894 344279247 /nfs/dbraw/zinc/27/92/47/344279247.db2.gz YZSGKYGLBJHFBV-UHFFFAOYSA-N 0 0 259.221 2.342 10 30 CEEERN N#Cc1cccc(NCC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000125863850 344321000 /nfs/dbraw/zinc/32/10/00/344321000.db2.gz OKIIFXTWOXQKLJ-NSHDSACASA-N 0 0 261.281 2.447 10 30 CEEERN S=C(N/N=C/c1ccccc1)Nc1ccccn1 ZINC000135935698 344383680 /nfs/dbraw/zinc/38/36/80/344383680.db2.gz QGFYQRNVIRGUJM-XNTDXEJSSA-N 0 0 256.334 2.402 10 30 CEEERN C=CCOc1ccc(COCCn2ccnn2)cc1 ZINC000137721314 344388408 /nfs/dbraw/zinc/38/84/08/344388408.db2.gz LERMIXWANCQGAB-UHFFFAOYSA-N 0 0 259.309 2.060 10 30 CEEERN C=CC[C@@]1(C(=O)OC)CCN(C(=O)OC(C)(C)C)C1 ZINC000139059513 344391936 /nfs/dbraw/zinc/39/19/36/344391936.db2.gz JNUHAUIDNOLNBV-CQSZACIVSA-N 0 0 269.341 2.363 10 30 CEEERN C=C(C)[C@@H](NN)c1csc(I)c1 ZINC000158854783 344452709 /nfs/dbraw/zinc/45/27/09/344452709.db2.gz OQVLGVBSRHXJAJ-MRVPVSSYSA-N 0 0 294.161 2.433 10 30 CEEERN CCN1CCO[C@H](CNc2cccc(Cl)c2C#N)C1 ZINC000166048006 344475490 /nfs/dbraw/zinc/47/54/90/344475490.db2.gz UDCLQZPKUNNOQN-LLVKDONJSA-N 0 0 279.771 2.344 10 30 CEEERN C#CC(=O)c1cccc(I)c1 ZINC000168752199 344480751 /nfs/dbraw/zinc/48/07/51/344480751.db2.gz XGOXIRFNYMXXSX-UHFFFAOYSA-N 0 0 256.042 2.107 10 30 CEEERN CS(=O)(=O)OCCc1ccc(Br)cc1F ZINC000225069321 344544568 /nfs/dbraw/zinc/54/45/68/344544568.db2.gz HZVJRVKFTKAPDM-UHFFFAOYSA-N 0 0 297.145 2.107 10 30 CEEERN N#Cc1cc(CN2CCO[C@@H]3CCCC[C@H]32)ccn1 ZINC000227105829 344551841 /nfs/dbraw/zinc/55/18/41/344551841.db2.gz IPAAMXZZCUYZFC-HUUCEWRRSA-N 0 0 257.337 2.097 10 30 CEEERN C=C[C@@H](NN)c1cccc(C)c1I ZINC000235810064 344592772 /nfs/dbraw/zinc/59/27/72/344592772.db2.gz QTZSHRDKBILZRC-SECBINFHSA-N 0 0 288.132 2.290 10 30 CEEERN CCC[C@@H]1C[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000233306316 344581071 /nfs/dbraw/zinc/58/10/71/344581071.db2.gz LCXHDMYUCXGAFO-UKRRQHHQSA-N 0 0 292.404 2.110 10 30 CEEERN N#Cc1cc(Br)ccc1N1CCC(=O)C1 ZINC000238003300 344605696 /nfs/dbraw/zinc/60/56/96/344605696.db2.gz BXLKUSAAEUGKKQ-UHFFFAOYSA-N 0 0 265.110 2.100 10 30 CEEERN CCOC(=O)ON1[C@H](C)C(=O)C[C@H]1c1ccccc1 ZINC000253532923 344645001 /nfs/dbraw/zinc/64/50/01/344645001.db2.gz GBOSGPLQXZFOQU-PWSUYJOCSA-N 0 0 263.293 2.479 10 30 CEEERN O=C(C#CBr)Nc1nc(C2CC2)cs1 ZINC000307629818 344723674 /nfs/dbraw/zinc/72/36/74/344723674.db2.gz LNSTZIOURUKZFH-UHFFFAOYSA-N 0 0 271.139 2.315 10 30 CEEERN O=C(CCS)NCCCOCc1ccccc1 ZINC000307618982 344723934 /nfs/dbraw/zinc/72/39/34/344723934.db2.gz VNLVCSLZLWTEQB-UHFFFAOYSA-N 0 0 253.367 2.029 10 30 CEEERN C#C[C@@H](Nc1nnc(Br)s1)C(C)C ZINC000300913626 344702093 /nfs/dbraw/zinc/70/20/93/344702093.db2.gz MCNKJEBLJFZGKR-ZCFIWIBFSA-N 0 0 260.160 2.370 10 30 CEEERN N#C[C@]1(c2ncccc2Br)CCOC1 ZINC000306257687 344712921 /nfs/dbraw/zinc/71/29/21/344712921.db2.gz QPUTUYWSKDKIGU-SNVBAGLBSA-N 0 0 253.099 2.026 10 30 CEEERN CN(C)c1ccc(NC(=O)C#CBr)cc1 ZINC000306668998 344716268 /nfs/dbraw/zinc/71/62/68/344716268.db2.gz KRCKCCTWQSISDS-UHFFFAOYSA-N 0 0 267.126 2.047 10 30 CEEERN COC(=O)c1c(Br)cc(C)cc1C#N ZINC000306824759 344717772 /nfs/dbraw/zinc/71/77/72/344717772.db2.gz VDGBXUIVFRNFOE-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN COC(=O)c1c(Br)ccc(F)c1C#N ZINC000306917355 344718917 /nfs/dbraw/zinc/71/89/17/344718917.db2.gz YZHWLXHEJJFCKF-UHFFFAOYSA-N 0 0 258.046 2.246 10 30 CEEERN C=C[C@H](C)Nc1ncc(I)n1C ZINC000306984771 344719259 /nfs/dbraw/zinc/71/92/59/344719259.db2.gz MLUNHYVXGVUBCO-LURJTMIESA-N 0 0 277.109 2.011 10 30 CEEERN CN(C[C@H]1CCc2nccn2C1)C(=O)c1cccc(C#N)c1 ZINC000328619508 344755540 /nfs/dbraw/zinc/75/55/40/344755540.db2.gz FXVHWMDRIDXLKL-CQSZACIVSA-N 0 0 294.358 2.089 10 30 CEEERN Cn1cc(Cl)c(CN[C@H]2CCCC[C@@H]2C#N)n1 ZINC000393321058 344839842 /nfs/dbraw/zinc/83/98/42/344839842.db2.gz ANGZTRHFPHTPOQ-KOLCDFICSA-N 0 0 252.749 2.245 10 30 CEEERN Cc1ccccc1N1CCC[C@H](C(=O)CC#N)C1=O ZINC000536950689 344932983 /nfs/dbraw/zinc/93/29/83/344932983.db2.gz KFRPTTXKQADKSJ-GFCCVEGCSA-N 0 0 256.305 2.221 10 30 CEEERN N#CCC(=O)[C@H]1CCCN(c2ccc(F)cc2F)C1=O ZINC000536949459 344932986 /nfs/dbraw/zinc/93/29/86/344932986.db2.gz ABPXZPGRULDAAO-SNVBAGLBSA-N 0 0 278.258 2.191 10 30 CEEERN C[NH+](C)CCC[C@@](C#N)(Cc1ccccc1)C(=O)[O-] ZINC000584596708 344961151 /nfs/dbraw/zinc/96/11/51/344961151.db2.gz HYNWNFBICCSHOY-HNNXBMFYSA-N 0 0 260.337 2.165 10 30 CEEERN C=CC[C@](OCC(=O)OC)(C(=O)OCC)c1ccccc1 ZINC000584595447 344961412 /nfs/dbraw/zinc/96/14/12/344961412.db2.gz VRHUNUDBSBSYJD-MRXNPFEDSA-N 0 0 292.331 2.211 10 30 CEEERN COC(=O)c1ccccc1C#C[C@](C)(O)C1(C#N)CCC1 ZINC000584597220 344961791 /nfs/dbraw/zinc/96/17/91/344961791.db2.gz DDSHUWYIXKDYOE-INIZCTEOSA-N 0 0 283.327 2.270 10 30 CEEERN CSC(SC)=C1c2snnc2CCC1=O ZINC000584614169 344965220 /nfs/dbraw/zinc/96/52/20/344965220.db2.gz XENVWCTWZIGPIY-UHFFFAOYSA-N 0 0 258.393 2.448 10 30 CEEERN N#Cc1cc2cc(C(N)=O)[nH]c2c(-c2ccncc2)c1 ZINC000584618214 344966549 /nfs/dbraw/zinc/96/65/49/344966549.db2.gz DDSANXWDBXEFJW-UHFFFAOYSA-N 0 0 262.272 2.200 10 30 CEEERN NC(=O)Cc1c2c(c(F)c(F)c1F)C(F)(F)C2(F)F ZINC000584622460 344967800 /nfs/dbraw/zinc/96/78/00/344967800.db2.gz XDGJIDOCIYIEGK-UHFFFAOYSA-N 0 0 287.134 2.329 10 30 CEEERN C=CC[C@](Cc1ccccn1)(C(C)=O)C(=O)OCC ZINC000584629136 344969192 /nfs/dbraw/zinc/96/91/92/344969192.db2.gz GPGWWWUEDUIGJQ-HNNXBMFYSA-N 0 0 261.321 2.339 10 30 CEEERN CC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CO)O1 ZINC000584640787 344972226 /nfs/dbraw/zinc/97/22/26/344972226.db2.gz ZJARKWSNJDQCHJ-ZIAGYGMSSA-N 0 0 297.358 2.083 10 30 CEEERN COc1cccc([C@H](C[N+](=O)[O-])C(C)(C)C=O)c1 ZINC000584654285 344974093 /nfs/dbraw/zinc/97/40/93/344974093.db2.gz VUHPKNLTQYJPMA-LBPRGKRZSA-N 0 0 251.282 2.281 10 30 CEEERN CC[C@@H](C)[S@](=O)CCC(=O)Nc1ccccc1C#N ZINC000084261238 178834296 /nfs/dbraw/zinc/83/42/96/178834296.db2.gz BCJXWQIWCAYQJH-WYRIXSBYSA-N 0 0 278.377 2.434 10 30 CEEERN Cc1nc2ccccn2c1CN[C@H]1CCC[C@@H]1C#N ZINC000061892159 362697815 /nfs/dbraw/zinc/69/78/15/362697815.db2.gz QOPXMYYHZMXCNR-OLZOCXBDSA-N 0 0 254.337 2.425 10 30 CEEERN N#C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000063064082 362748205 /nfs/dbraw/zinc/74/82/05/362748205.db2.gz DNMHSYYYITXCBB-ZETCQYMHSA-N 0 0 258.090 2.263 10 30 CEEERN C=CCN1C(=O)[C@@H](c2ccccc2)NC(=O)[C@@]1(C)C1CC1 ZINC000085759435 179151856 /nfs/dbraw/zinc/15/18/56/179151856.db2.gz QLZXJCOHQSDKHL-RHSMWYFYSA-N 0 0 284.359 2.041 10 30 CEEERN C=CCN1C(=O)[C@H](C2CCCCC2)NC(=O)[C@]1(C)C1CC1 ZINC000085776407 179160090 /nfs/dbraw/zinc/16/00/90/179160090.db2.gz CGNIUZSVAFISPN-YOEHRIQHSA-N 0 0 290.407 2.248 10 30 CEEERN C[C@@H](N(C)S(=O)(=O)c1ccc(C#N)cc1N)C(C)(C)C ZINC000085916725 179198835 /nfs/dbraw/zinc/19/88/35/179198835.db2.gz ZPCODHRBJDJBOF-SNVBAGLBSA-N 0 0 295.408 2.196 10 30 CEEERN C=CCNC(=O)CSc1ccc(N)c(Cl)c1 ZINC000085938129 179202951 /nfs/dbraw/zinc/20/29/51/179202951.db2.gz ZXWTXKIWLHKCQX-UHFFFAOYSA-N 0 0 256.758 2.317 10 30 CEEERN C[C@@H]1CC[C@@H](NC(=O)c2cc(F)ccc2C#CCO)[C@@H]1C ZINC000086081124 179227667 /nfs/dbraw/zinc/22/76/67/179227667.db2.gz ZJTFIDKTBKIEPM-XHBSWPGZSA-N 0 0 289.350 2.334 10 30 CEEERN N#CCc1ccc(NC(=O)N[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000603822852 347390265 /nfs/dbraw/zinc/39/02/65/347390265.db2.gz UFIZYDKEGNBRPC-ZIAGYGMSSA-N 0 0 273.336 2.178 10 30 CEEERN C[C@H]1[C@H](NC(=O)c2ccc(C#CCO)s2)CC[C@@H]1C ZINC000086081085 179227768 /nfs/dbraw/zinc/22/77/68/179227768.db2.gz ZVZUPJZATPCUND-DMDPSCGWSA-N 0 0 277.389 2.256 10 30 CEEERN N#Cc1ccc(Cl)cc1NC(=O)[C@H]1CCOC1 ZINC000086114026 179234171 /nfs/dbraw/zinc/23/41/71/179234171.db2.gz ONVIIYZFVAGJDD-VIFPVBQESA-N 0 0 250.685 2.187 10 30 CEEERN Cc1ccc(C#CC[NH3+])cc1NC(=O)c1ccncc1F ZINC000086316936 179269942 /nfs/dbraw/zinc/26/99/42/179269942.db2.gz RXJMXNCZESIIHD-UHFFFAOYSA-N 0 0 283.306 2.092 10 30 CEEERN COCc1nc(CN(CCC#N)C(C)C)cs1 ZINC000610391545 347677989 /nfs/dbraw/zinc/67/79/89/347677989.db2.gz BVCPMIMYLZXCRB-UHFFFAOYSA-N 0 0 253.371 2.414 10 30 CEEERN N#Cc1cnc2ccccc2c1N[C@@H]1CCC[C@@H](O)C1 ZINC000610273841 347668155 /nfs/dbraw/zinc/66/81/55/347668155.db2.gz QZLZOHMDZRTJKH-CHWSQXEVSA-N 0 0 267.332 2.244 10 30 CEEERN CC1=CC[C@H]([C@](C)(O)C/C=C/C(C)(C)O)CC1=O ZINC000013482229 290839995 /nfs/dbraw/zinc/83/99/95/290839995.db2.gz PJTUFUCFUDAEPU-YYTFBVJBSA-N 0 0 252.354 2.380 10 30 biogenic,in-vitro CEEERN CS(=O)(=O)[C@H]1CCC[C@H]1Nc1cccc(F)c1C#N ZINC000086672290 179317563 /nfs/dbraw/zinc/31/75/63/179317563.db2.gz YFNSUVGJMREBSC-OLZOCXBDSA-N 0 0 282.340 2.075 10 30 CEEERN C[C@H]1CCC[C@@](O)(CNC(=O)c2cccc(C#N)c2)C1 ZINC000087071512 179391864 /nfs/dbraw/zinc/39/18/64/179391864.db2.gz QTAHJFIIEKLWMK-LRDDRELGSA-N 0 0 272.348 2.229 10 30 CEEERN CCOC(=O)N1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616660343 348552126 /nfs/dbraw/zinc/55/21/26/348552126.db2.gz GJXQCOLCCSIMLO-ZDUSSCGKSA-N 0 0 274.320 2.131 10 30 CEEERN COC(=O)N1CCCOC[C@H]1c1cccc(C#N)c1 ZINC000616649977 348547795 /nfs/dbraw/zinc/54/77/95/348547795.db2.gz SFQYEYSFYYTIRU-ZDUSSCGKSA-N 0 0 260.293 2.088 10 30 CEEERN COC(=O)N1CCCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616651897 348548570 /nfs/dbraw/zinc/54/85/70/348548570.db2.gz LIALFRIILIIXJP-CYBMUJFWSA-N 0 0 260.293 2.088 10 30 CEEERN O=C(Nc1ccc(C#CCCO)c(F)c1)c1ccco1 ZINC000088082610 179545776 /nfs/dbraw/zinc/54/57/76/179545776.db2.gz CHULZDMIXUNHPM-UHFFFAOYSA-N 0 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CCN(CC)C(=O)C[C@@H](C#N)Nc1cccc(F)c1 ZINC000091323073 180134617 /nfs/dbraw/zinc/13/46/17/180134617.db2.gz MTMLSNZBYUSIRJ-ZDUSSCGKSA-N 0 0 263.316 2.388 10 30 CEEERN CC(C)(C)NC(=O)C[C@@H](C#N)NCc1cccs1 ZINC000091321935 180134634 /nfs/dbraw/zinc/13/46/34/180134634.db2.gz XRKWTDRPIINCAK-JTQLQIEISA-N 0 0 265.382 2.035 10 30 CEEERN COC(=O)[C@]1(C)O[C@]1(C)c1ccc2c(c1)OCCCO2 ZINC000091353449 180138242 /nfs/dbraw/zinc/13/82/42/180138242.db2.gz ZJCHEALFXQYHEJ-CABCVRRESA-N 0 0 278.304 2.025 10 30 CEEERN C[C@H]1CCC[C@H](NC(=O)c2ccncc2C#CCCO)C1 ZINC000091457855 180160977 /nfs/dbraw/zinc/16/09/77/180160977.db2.gz CELUFRLBGVYNEY-ZFWWWQNUSA-N 0 0 286.375 2.124 10 30 CEEERN CCCCCNC(=O)[C@H](C)N1CCC(C#N)(SC)CC1 ZINC000091471436 180165456 /nfs/dbraw/zinc/16/54/56/180165456.db2.gz CDYUPNTVIRFOFN-ZDUSSCGKSA-N 0 0 297.468 2.402 10 30 CEEERN CSC1(C#N)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000091476765 180166139 /nfs/dbraw/zinc/16/61/39/180166139.db2.gz SVJDHFSIHDYZCN-UHFFFAOYSA-N 0 0 296.417 2.096 10 30 CEEERN CSC1(C#N)CCN([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091477371 180166198 /nfs/dbraw/zinc/16/61/98/180166198.db2.gz YROBEPVWYDSNHI-LLVKDONJSA-N 0 0 283.441 2.011 10 30 CEEERN CCc1nn(C)c(Oc2ccc(C#N)cc2OC)c1N ZINC000091560329 180191518 /nfs/dbraw/zinc/19/15/18/180191518.db2.gz GNFUWURMQLAKQB-UHFFFAOYSA-N 0 0 272.308 2.237 10 30 CEEERN CC[C@H](C)[C@@H](C(=O)N1CCNC[C@@H]1C#N)c1ccccc1 ZINC000091749670 180246272 /nfs/dbraw/zinc/24/62/72/180246272.db2.gz ZPIHMDDBBVFSOQ-CWRNSKLLSA-N 0 0 285.391 2.140 10 30 CEEERN CCc1ccc(C(=O)Nc2cccc(C#CCCO)n2)o1 ZINC000091763119 180248409 /nfs/dbraw/zinc/24/84/09/180248409.db2.gz TVBDVQIWRCCKKV-UHFFFAOYSA-N 0 0 284.315 2.223 10 30 CEEERN N#C[C@H]1CNCCN1Cc1c(Cl)cccc1Cl ZINC000091748056 180244862 /nfs/dbraw/zinc/24/48/62/180244862.db2.gz DFGCHNCBVPECQW-VIFPVBQESA-N 0 0 270.163 2.291 10 30 CEEERN N#CCCNC(=O)CSc1cc(N)ccc1Cl ZINC000091930878 180288016 /nfs/dbraw/zinc/28/80/16/180288016.db2.gz XCHCRMYSGJRMSW-UHFFFAOYSA-N 0 0 269.757 2.044 10 30 CEEERN CCOc1ccc([C@@H](O)C2(C#N)CCOCC2)cc1 ZINC000091879355 180279569 /nfs/dbraw/zinc/27/95/69/180279569.db2.gz USYYRSJCXOCOLB-CQSZACIVSA-N 0 0 261.321 2.439 10 30 CEEERN N#C[C@]1([C@H](O)c2ccccn2)COc2ccccc2C1 ZINC000091881138 180279574 /nfs/dbraw/zinc/27/95/74/180279574.db2.gz OIVZGUUNIJHSBP-CVEARBPZSA-N 0 0 266.300 2.260 10 30 CEEERN CN1CCc2cc([C@H](O)C3(C#N)CCOCC3)ccc21 ZINC000091884282 180279972 /nfs/dbraw/zinc/27/99/72/180279972.db2.gz SWKGYKQQCOBJKL-HNNXBMFYSA-N 0 0 272.348 2.033 10 30 CEEERN N#C[C@]1([C@@]2(O)CCCOC2)CCc2ccccc2C1 ZINC000091885831 180280008 /nfs/dbraw/zinc/28/00/08/180280008.db2.gz KYNNMMOZJHFUMK-JKSUJKDBSA-N 0 0 257.333 2.227 10 30 CEEERN CC[C@](O)(COC)[C@]1(C#N)CCc2ccccc2C1 ZINC000091886267 180280044 /nfs/dbraw/zinc/28/00/44/180280044.db2.gz CSTMLEXVHGYQLM-CVEARBPZSA-N 0 0 259.349 2.473 10 30 CEEERN [NH3+]CC#Cc1ccccc1NC(=O)N1CCCCCC1 ZINC000091971823 180295747 /nfs/dbraw/zinc/29/57/47/180295747.db2.gz DZFVGSQTLHFQOU-UHFFFAOYSA-N 0 0 271.364 2.405 10 30 CEEERN CCC[C@@H](C#N)N1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000091973456 180296540 /nfs/dbraw/zinc/29/65/40/180296540.db2.gz NNGHJDTUVSBMNG-HNNXBMFYSA-N 0 0 292.427 2.148 10 30 CEEERN C[C@]1(CCC#N)CCC(N)=C(Br)C1=O ZINC000105654726 186067317 /nfs/dbraw/zinc/06/73/17/186067317.db2.gz HDHUQCOWWVTDFZ-JTQLQIEISA-N 0 0 257.131 2.225 10 30 CEEERN Cc1ccc(C#CCCO)cc1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092112188 180327147 /nfs/dbraw/zinc/32/71/47/180327147.db2.gz ASLGATKXQSRAGB-HUUCEWRRSA-N 0 0 285.387 2.457 10 30 CEEERN N#CCCN(CCC#N)C(=O)c1ccc2nc(N)sc2c1 ZINC000105732902 186069768 /nfs/dbraw/zinc/06/97/68/186069768.db2.gz NMSZAYXLYNPXTK-UHFFFAOYSA-N 0 0 299.359 2.148 10 30 CEEERN Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C#N)o1 ZINC000105996787 186096503 /nfs/dbraw/zinc/09/65/03/186096503.db2.gz PELYJORBRXNOOL-UHFFFAOYSA-N 0 0 262.250 2.309 10 30 CEEERN N#CCOc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000105995173 186096909 /nfs/dbraw/zinc/09/69/09/186096909.db2.gz HKMQEGRJRCPIOZ-OKILXGFUSA-N 0 0 284.315 2.269 10 30 CEEERN N#CCc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000106588534 186128122 /nfs/dbraw/zinc/12/81/22/186128122.db2.gz KVICBAFZZABMEM-OKILXGFUSA-N 0 0 268.316 2.432 10 30 CEEERN C=CC[N@H+](CC(=O)[O-])[C@H](C)c1ccc(OC)c(OC)c1 ZINC000092469731 180392819 /nfs/dbraw/zinc/39/28/19/180392819.db2.gz HRPUYEDFUBAAIU-LLVKDONJSA-N 0 0 279.336 2.337 10 30 CEEERN C[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C#N)cn1 ZINC000107455245 186175270 /nfs/dbraw/zinc/17/52/70/186175270.db2.gz WTCJSXUFEQMSDX-NSHDSACASA-N 0 0 283.306 2.453 10 30 CEEERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C#N)cn2)o1 ZINC000107554291 186178637 /nfs/dbraw/zinc/17/86/37/186178637.db2.gz KVIIVZWABBDGKW-SNVBAGLBSA-N 0 0 255.277 2.346 10 30 CEEERN C[C@@H]1COC[C@@H](C)N1C(=O)CSc1ccc(C#N)cc1 ZINC000130662664 365978151 /nfs/dbraw/zinc/97/81/51/365978151.db2.gz QTFZEVFJFOWBSG-VXGBXAGGSA-N 0 0 290.388 2.286 10 30 CEEERN C#CCN(CCC)C(=O)Cc1noc2ccccc21 ZINC000108910909 186236077 /nfs/dbraw/zinc/23/60/77/186236077.db2.gz LTQAFTANSVTLBB-UHFFFAOYSA-N 0 0 256.305 2.242 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C[C@](N)(C#N)CCCOc1cc(F)c([N+](=O)[O-])cc1F ZINC000110624478 186306614 /nfs/dbraw/zinc/30/66/14/186306614.db2.gz TVQOYRFTAHONBM-GFCCVEGCSA-N 0 0 285.250 2.273 10 30 CEEERN N#CCN1CCC(Nc2nncc3ccccc32)CC1 ZINC000110824766 186327648 /nfs/dbraw/zinc/32/76/48/186327648.db2.gz RHJDKLWHUMBOJO-UHFFFAOYSA-N 0 0 267.336 2.030 10 30 CEEERN CN(CC1CCCC1)C(=O)c1cc(C#CCO)ccc1F ZINC000110847527 186328505 /nfs/dbraw/zinc/32/85/05/186328505.db2.gz GRCSSFKDSVKGMT-UHFFFAOYSA-N 0 0 289.350 2.432 10 30 CEEERN COc1ccc(C#CCO)cc1CSc1cnccn1 ZINC000110914220 186332819 /nfs/dbraw/zinc/33/28/19/186332819.db2.gz KMIVAGZIDKUMSX-UHFFFAOYSA-N 0 0 286.356 2.121 10 30 CEEERN CCc1nnc(Cn2c3ccccc3nc2CC#N)o1 ZINC000110949959 186335471 /nfs/dbraw/zinc/33/54/71/186335471.db2.gz VQQMQNPKXOGOMA-UHFFFAOYSA-N 0 0 267.292 2.096 10 30 CEEERN CCCN[C@@H](C#N)CCn1c2ccccc2nc1CC#N ZINC000110952211 186336798 /nfs/dbraw/zinc/33/67/98/186336798.db2.gz XZBOAHXIYYJKOQ-CYBMUJFWSA-N 0 0 281.363 2.384 10 30 CEEERN CC(C)N[C@@H](C#N)CCn1c2ccccc2nc1CC#N ZINC000110952301 186337069 /nfs/dbraw/zinc/33/70/69/186337069.db2.gz JTNMUBWDEYGBHL-CYBMUJFWSA-N 0 0 281.363 2.383 10 30 CEEERN CC[C@@H]1CC[C@@H](C#N)[C@H](SCCS(C)(=O)=O)C1 ZINC000111004789 186341743 /nfs/dbraw/zinc/34/17/43/186341743.db2.gz CQVDACJQTWBNKS-GRYCIOLGSA-N 0 0 275.439 2.483 10 30 CEEERN CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(=O)C1(C#N)CCOCC1 ZINC000111090370 186352062 /nfs/dbraw/zinc/35/20/62/186352062.db2.gz UVVPLSCMTRRRDP-MJBXVCDLSA-N 0 0 276.380 2.201 10 30 CEEERN O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1C#CCO ZINC000111102317 186352706 /nfs/dbraw/zinc/35/27/06/186352706.db2.gz LMVAHKSYDZXIQN-IMJJTQAJSA-N 0 0 283.371 2.196 10 30 CEEERN C[C@H](Sc1ccncn1)C(=O)Nc1cccc(C#N)c1 ZINC000111114245 186354153 /nfs/dbraw/zinc/35/41/53/186354153.db2.gz NYTHPRWWJUIVOH-JTQLQIEISA-N 0 0 284.344 2.468 10 30 CEEERN N#C[C@H](N)CCOc1ccc([N+](=O)[O-])c2ccccc12 ZINC000111128610 186356124 /nfs/dbraw/zinc/35/61/24/186356124.db2.gz ZHJDSKHAAZJQDI-SNVBAGLBSA-N 0 0 271.276 2.368 10 30 CEEERN CCN[C@](C)(C#N)CCCSc1nnc(N(C)C)s1 ZINC000111316615 186395850 /nfs/dbraw/zinc/39/58/50/186395850.db2.gz PIOSYBOXHRZXKD-LBPRGKRZSA-N 0 0 299.469 2.368 10 30 CEEERN Cc1nn(C)c(NCCCOc2ccccc2)c1C#N ZINC000111350263 186403039 /nfs/dbraw/zinc/40/30/39/186403039.db2.gz ZJKQRPNQFLMSGU-UHFFFAOYSA-N 0 0 270.336 2.481 10 30 CEEERN Cc1nn(C)c(NCCc2cccc(F)c2)c1C#N ZINC000111349909 186403728 /nfs/dbraw/zinc/40/37/28/186403728.db2.gz UUDVIOLYXHHVDL-UHFFFAOYSA-N 0 0 258.300 2.394 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2sccc2C#CCO)[C@H]1C ZINC000111535506 186426749 /nfs/dbraw/zinc/42/67/49/186426749.db2.gz HHCZKFSRAKFTFO-NEPJUHHUSA-N 0 0 277.389 2.353 10 30 CEEERN C[C@@H]1C[C@@H](C)CN(C(=O)c2sccc2C#CCO)C1 ZINC000111531549 186426870 /nfs/dbraw/zinc/42/68/70/186426870.db2.gz YDLJZJLRKPIANR-VXGBXAGGSA-N 0 0 277.389 2.210 10 30 CEEERN O=C(NC[C@@H]1Cc2ccccc21)c1sccc1C#CCO ZINC000111532371 186427360 /nfs/dbraw/zinc/42/73/60/186427360.db2.gz IRFJOGSZSZJNRL-AWEZNQCLSA-N 0 0 297.379 2.162 10 30 CEEERN C=C(C)CNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000156642395 188274167 /nfs/dbraw/zinc/27/41/67/188274167.db2.gz HIFYNFOGXYSHOU-NSHDSACASA-N 0 0 296.392 2.026 10 30 CEEERN CCOC(=O)c1c(C=O)ccc(OC(F)(F)F)c1C#N ZINC000575391224 366268743 /nfs/dbraw/zinc/26/87/43/366268743.db2.gz PMSTUAHDWUQKOG-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1C=O ZINC000575391735 366269608 /nfs/dbraw/zinc/26/96/08/366269608.db2.gz RFSUPHJVUXIXKG-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(C#N)c1C=O ZINC000575391865 366269645 /nfs/dbraw/zinc/26/96/45/366269645.db2.gz XWAQXRDJXNHPES-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)Cc1cc(C(F)(F)F)c(C=O)cc1C#N ZINC000575391842 366269750 /nfs/dbraw/zinc/26/97/50/366269750.db2.gz XCWJVHNQUCPUNH-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN COC(=O)Cc1c(C#N)cc(C(F)(F)F)cc1C=O ZINC000575391713 366269770 /nfs/dbraw/zinc/26/97/70/366269770.db2.gz QOKHKURWNHIVLE-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1O ZINC000575392358 366271836 /nfs/dbraw/zinc/27/18/36/366271836.db2.gz VNICQDTWUJBIAJ-UHFFFAOYSA-N 0 0 259.183 2.459 10 30 CEEERN COC(=O)Cc1c(C#N)cc(OC(F)(F)F)cc1OC ZINC000575394376 366273603 /nfs/dbraw/zinc/27/36/03/366273603.db2.gz JFESSJQWGODEQA-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1C(F)(F)F ZINC000575395915 366276755 /nfs/dbraw/zinc/27/67/55/366276755.db2.gz WFRATTUEZRWHDB-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN N#Cc1nc2ccc(Br)cc2c(=O)n1C1CC1 ZINC000575602907 366298239 /nfs/dbraw/zinc/29/82/39/366298239.db2.gz WBALNGDZHSYKDJ-UHFFFAOYSA-N 0 0 290.120 2.366 10 30 CEEERN N#CCc1cc(C#N)cc([N+](=O)[O-])c1OC(F)(F)F ZINC000575647405 366311468 /nfs/dbraw/zinc/31/14/68/366311468.db2.gz FUNQTPUHFXDRQJ-UHFFFAOYSA-N 0 0 271.154 2.431 10 30 CEEERN N#CCc1cc(OC(F)(F)F)cc(C#N)c1C=O ZINC000575649203 366311648 /nfs/dbraw/zinc/31/16/48/366311648.db2.gz SSWXSYUKURSEPO-UHFFFAOYSA-N 0 0 254.167 2.335 10 30 CEEERN CCOc1ccc([N+](=O)[O-])c(C#N)c1OC(F)F ZINC000575659372 366318735 /nfs/dbraw/zinc/31/87/35/366318735.db2.gz UPNVBINKJAFQIE-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN CCOc1cc(N)cc(Br)c1CC#N ZINC000575714746 366342164 /nfs/dbraw/zinc/34/21/64/366342164.db2.gz QSMQJUSLANZMRN-UHFFFAOYSA-N 0 0 255.115 2.496 10 30 CEEERN N#Cc1ccnc(I)c1OC1CC1 ZINC000095736275 283221298 /nfs/dbraw/zinc/22/12/98/283221298.db2.gz CQJHDLJWMNIDLQ-UHFFFAOYSA-N 0 0 286.072 2.099 10 30 CEEERN CC(C)(C)OC(=O)NC(C)(C)C(=O)CC[C@H]1CO1 ZINC000685959613 540658305 /nfs/dbraw/zinc/65/83/05/540658305.db2.gz DUBVGRUVKMKZOD-VIFPVBQESA-N 0 0 257.330 2.038 10 30 CEEERN C#CCOc1ccccc1CN[C@@H]1CCCn2nc(C)nc21 ZINC000177593333 189058989 /nfs/dbraw/zinc/05/89/89/189058989.db2.gz ZQYMOEOZRXTJMB-OAHLLOKOSA-N 0 0 296.374 2.223 10 30 CEEERN N#Cc1cccc(NCc2nc(-c3cccs3)n[nH]2)n1 ZINC000301566526 201070944 /nfs/dbraw/zinc/07/09/44/201070944.db2.gz KQGNEQTXWORHDY-UHFFFAOYSA-N 0 0 282.332 2.412 10 30 CEEERN C=CCCCN(C)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083742605 363786123 /nfs/dbraw/zinc/78/61/23/363786123.db2.gz MGQUTJTXOSMCIP-LBPRGKRZSA-N 0 0 277.372 2.029 10 30 CEEERN CSCC[C@@H](CO)Nc1snc(Cl)c1C#N ZINC000154592557 366780707 /nfs/dbraw/zinc/78/07/07/366780707.db2.gz PWLJDMNQVWSHRN-LURJTMIESA-N 0 0 277.802 2.194 10 30 CEEERN C=CCc1cc(C(C)=O)c(O)cc1OCCCCO ZINC000013650571 361435888 /nfs/dbraw/zinc/43/58/88/361435888.db2.gz WKDQDFPQOPSVFY-UHFFFAOYSA-N 0 0 264.321 2.475 10 30 CEEERN CCCCCCS(=O)(=O)[C@H](CCCC)CC(=O)NO ZINC000013808897 361442122 /nfs/dbraw/zinc/44/21/22/361442122.db2.gz XAYUUSHBNSHYDL-GFCCVEGCSA-N 0 0 293.429 2.436 10 30 CEEERN C=CCNC(=S)NCCc1ccc(OC)c(C)c1 ZINC000026807511 361646324 /nfs/dbraw/zinc/64/63/24/361646324.db2.gz OMJGWUBEPGPGJH-UHFFFAOYSA-N 0 0 264.394 2.196 10 30 CEEERN N#Cc1ccc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)nn1 ZINC000301948112 201271305 /nfs/dbraw/zinc/27/13/05/201271305.db2.gz HVXXWDVHEITIAG-OAHLLOKOSA-N 0 0 298.321 2.190 10 30 CEEERN Cc1nc(N2CCCC2)ccc1Nc1ccc(C#N)nn1 ZINC000301975989 201284492 /nfs/dbraw/zinc/28/44/92/201284492.db2.gz VYIUZXJKDQAQAA-UHFFFAOYSA-N 0 0 280.335 2.396 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)cc1F ZINC000094817883 364300499 /nfs/dbraw/zinc/30/04/99/364300499.db2.gz FNNOMGOKBDELEZ-MFKMUULPSA-N 0 0 264.275 2.316 10 30 CEEERN C#CCOCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000157026285 366839955 /nfs/dbraw/zinc/83/99/55/366839955.db2.gz JDRHBUUQIQJEHD-AWEZNQCLSA-N 0 0 287.359 2.445 10 30 CEEERN COC[C@@H](C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000103394277 364648406 /nfs/dbraw/zinc/64/84/06/364648406.db2.gz QZTIZHIKTDTPSZ-MRVPVSSYSA-N 0 0 284.262 2.381 10 30 CEEERN Cn1cc([C@H]2CCN(C(=O)C3(C#N)CCCCC3)C2)cn1 ZINC000116120503 365038564 /nfs/dbraw/zinc/03/85/64/365038564.db2.gz XSAUOUNPYYTWGI-ZDUSSCGKSA-N 0 0 286.379 2.210 10 30 CEEERN C=CCOCCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120455929 365425762 /nfs/dbraw/zinc/42/57/62/365425762.db2.gz PQOQFPCKZMDEOE-ZBFHGGJFSA-N 0 0 281.396 2.123 10 30 CEEERN N#CCCCCN1CCO[C@@H](c2nccs2)C1 ZINC000171037988 367465411 /nfs/dbraw/zinc/46/54/11/367465411.db2.gz GXXPHWHYRJDNCG-LLVKDONJSA-N 0 0 251.355 2.210 10 30 CEEERN C#Cc1cccc(N(C)Cc2nnc(C3CC3)n2C)c1 ZINC000171396862 367533598 /nfs/dbraw/zinc/53/35/98/367533598.db2.gz TVNHFIIMPNJQKM-UHFFFAOYSA-N 0 0 266.348 2.310 10 30 CEEERN COC[C@H](C)C(=O)NCCSCc1ccccc1C#N ZINC000171431367 367540901 /nfs/dbraw/zinc/54/09/01/367540901.db2.gz BKXPKLFPBLYUEU-LBPRGKRZSA-N 0 0 292.404 2.190 10 30 CEEERN C=CCSCCNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171470321 367549047 /nfs/dbraw/zinc/54/90/47/367549047.db2.gz KQAHLBIJZCHWTR-ZDUSSCGKSA-N 0 0 294.424 2.186 10 30 CEEERN C=CCCC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171234603 367500361 /nfs/dbraw/zinc/50/03/61/367500361.db2.gz OWIHWMNEJPBKGJ-GFCCVEGCSA-N 0 0 263.341 2.125 10 30 CEEERN N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000177930042 368283318 /nfs/dbraw/zinc/28/33/18/368283318.db2.gz KBZFPFCOPYLQQI-HZMBPMFUSA-N 0 0 291.326 2.370 10 30 CEEERN C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000181411336 368453628 /nfs/dbraw/zinc/45/36/28/368453628.db2.gz QOPXKHIPIPTCJE-CHWSQXEVSA-N 0 0 284.359 2.491 10 30 CEEERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCO[C@H](C#N)C1)[C@@H](C)C2 ZINC000181942693 368507909 /nfs/dbraw/zinc/50/79/09/368507909.db2.gz SZDCTYOQDNTENI-JGGQBBKZSA-N 0 0 299.374 2.162 10 30 CEEERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(C#N)o1 ZINC000246154870 370916582 /nfs/dbraw/zinc/91/65/82/370916582.db2.gz FOUWUKGJRKUXFQ-DFBGVHRSSA-N 0 0 288.347 2.457 10 30 CEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000185584666 368826559 /nfs/dbraw/zinc/82/65/59/368826559.db2.gz SJXBFSUZEJNDJZ-STQMWFEESA-N 0 0 290.411 2.435 10 30 CEEERN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000185588742 368828216 /nfs/dbraw/zinc/82/82/16/368828216.db2.gz JIAYMFJIUAAQIV-OLZOCXBDSA-N 0 0 261.369 2.338 10 30 CEEERN C#CCC(C)(C)C(=O)N1CCC(c2nncn2CC)CC1 ZINC000186281713 368950741 /nfs/dbraw/zinc/95/07/41/368950741.db2.gz MCIFPKYZKXLQQX-UHFFFAOYSA-N 0 0 288.395 2.054 10 30 CEEERN CC(C)c1nnc(CN(C)Cc2ccc(C#N)cc2)n1C ZINC000195066965 370102172 /nfs/dbraw/zinc/10/21/72/370102172.db2.gz WLIFFPPYQNDQJV-UHFFFAOYSA-N 0 0 283.379 2.442 10 30 CEEERN C=C(C)c1nc(N)nc(Nc2ccc(NC(C)=O)cc2)n1 ZINC000211744094 370162859 /nfs/dbraw/zinc/16/28/59/370162859.db2.gz ANLLYDOUZFUGSU-UHFFFAOYSA-N 0 0 284.323 2.189 10 30 CEEERN CN(C)c1ccc(N(C)C(=O)C(F)(F)F)cc1C#N ZINC000226280159 370333300 /nfs/dbraw/zinc/33/33/00/370333300.db2.gz FVDPBESEBWVCCQ-UHFFFAOYSA-N 0 0 271.242 2.149 10 30 CEEERN CC1CCN(C(=O)COc2ccc(/C=N/O)cc2)CC1 ZINC000226364128 370337623 /nfs/dbraw/zinc/33/76/23/370337623.db2.gz GKGNQWWSMUILIP-MHWRWJLKSA-N 0 0 276.336 2.132 10 30 CEEERN CO[C@@H](c1noc(-c2ccnc(C#N)c2)n1)C1CC1 ZINC000234773963 370542625 /nfs/dbraw/zinc/54/26/25/370542625.db2.gz BMZJLSYKXQUHII-LLVKDONJSA-N 0 0 256.265 2.101 10 30 CEEERN CSC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235041017 370554997 /nfs/dbraw/zinc/55/49/97/370554997.db2.gz CUWLROOTWSQQOZ-SSDOTTSWSA-N 0 0 252.299 2.025 10 30 CEEERN CCn1ccnc1COc1cc(C#N)cc(OC)c1 ZINC000234188362 370530768 /nfs/dbraw/zinc/53/07/68/370530768.db2.gz ZRDPOWFELNAZGG-UHFFFAOYSA-N 0 0 257.293 2.362 10 30 CEEERN Cc1ncsc1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235796594 370578479 /nfs/dbraw/zinc/57/84/79/370578479.db2.gz ZHHAFWXSWFSGCT-UHFFFAOYSA-N 0 0 275.293 2.239 10 30 CEEERN C/N=C/c1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000252481914 371442956 /nfs/dbraw/zinc/44/29/56/371442956.db2.gz CVDDSGDBSCUPFP-WPIAHNSYSA-N 0 0 299.168 2.011 10 30 CEEERN O=C1CS/C(=N\N=Cc2c(F)cccc2Cl)N1 ZINC000254656919 371536874 /nfs/dbraw/zinc/53/68/74/371536874.db2.gz FZMOFYNVMBFEMQ-UHFFFAOYSA-N 0 0 271.704 2.032 10 30 CEEERN Cc1ccc(C=Nc2ccc(S(N)(=O)=O)cc2)s1 ZINC000254746584 371539039 /nfs/dbraw/zinc/53/90/39/371539039.db2.gz VJXFEIUABSKZPB-UHFFFAOYSA-N 0 0 280.374 2.455 10 30 CEEERN C=CCOc1ccc(C(=O)N2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399195617 375360114 /nfs/dbraw/zinc/36/01/14/375360114.db2.gz LJHLIUWXKITNLA-GXTWGEPZSA-N 0 0 275.348 2.237 10 30 CEEERN O=C(NC[C@@H]1CCn2ccnc2C1)[C@@H](O)c1ccccc1 ZINC000328614299 376860761 /nfs/dbraw/zinc/86/07/61/376860761.db2.gz AFUXJQXUSZIYPL-DOMZBBRYSA-N 0 0 285.347 2.136 10 30 CEEERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000301518653 379284130 /nfs/dbraw/zinc/28/41/30/379284130.db2.gz COLQZCJHAJZWGK-SZEPBZDZSA-N 0 0 277.393 2.445 10 30 CEEERN Cc1ccc(N[C@H]2CCc3nc(C(C)C)nn3C2)nc1C#N ZINC000302688971 379425227 /nfs/dbraw/zinc/42/52/27/379425227.db2.gz YWGXAHVMEJIBSJ-LBPRGKRZSA-N 0 0 296.378 2.404 10 30 CEEERN C=CCOc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)cc1 ZINC000305107131 379641242 /nfs/dbraw/zinc/64/12/42/379641242.db2.gz BQZMPTTWCMPDNE-CQSZACIVSA-N 0 0 277.364 2.388 10 30 CEEERN C#CCCC(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000406115573 542281765 /nfs/dbraw/zinc/28/17/65/542281765.db2.gz OPXOBRPDBSZUEL-UHFFFAOYSA-N 0 0 251.326 2.226 10 30 CEEERN CCCN[C@](C)(C#N)CSc1nccc(C)n1 ZINC000051332267 184565894 /nfs/dbraw/zinc/56/58/94/184565894.db2.gz GVNQMHGHDAODOU-GFCCVEGCSA-N 0 0 250.371 2.159 10 30 CEEERN Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)c1ccco1 ZINC000070431976 184571377 /nfs/dbraw/zinc/57/13/77/184571377.db2.gz HDDYYOOWGXARBA-NSHDSACASA-N 0 0 290.344 2.499 10 30 CEEERN N#Cc1cc2c(nc1OC[C@@H]1CCOC1)CCCC2 ZINC000043410334 184559333 /nfs/dbraw/zinc/55/93/33/184559333.db2.gz DEWCYQYAVNIVKN-LLVKDONJSA-N 0 0 258.321 2.247 10 30 CEEERN CC[C@@H](C)CN(CC)C(=O)c1ccncc1C#CCCO ZINC000093264987 184659534 /nfs/dbraw/zinc/65/95/34/184659534.db2.gz CDARTANMPHICNW-CQSZACIVSA-N 0 0 288.391 2.324 10 30 CEEERN C#CCCCC(=O)N1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000192182158 533012461 /nfs/dbraw/zinc/01/24/61/533012461.db2.gz HDPQLIIPDUPLHV-RDBSUJKOSA-N 0 0 277.364 2.123 10 30 CEEERN C#CC(=O)CC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000061948256 542372431 /nfs/dbraw/zinc/37/24/31/542372431.db2.gz LFYJZWNRGVDVJO-LLVKDONJSA-N 0 0 251.326 2.368 10 30 CEEERN CC1(C)CCCN1S(=O)(=O)c1ccc(CC#N)cc1 ZINC000081300327 177787427 /nfs/dbraw/zinc/78/74/27/177787427.db2.gz NDGHILQQXSVXCZ-UHFFFAOYSA-N 0 0 278.377 2.316 10 30 CEEERN CCOC(=O)c1cn2cc(Br)c(C#N)cc2n1 ZINC000504693521 256748288 /nfs/dbraw/zinc/74/82/88/256748288.db2.gz XOTMZPBZLVZSDP-UHFFFAOYSA-N 0 0 294.108 2.145 10 30 CEEERN Cc1nnc(S[C@@H]2CCC[C@](C#N)(NC3CC3)C2)o1 ZINC000093747312 184712406 /nfs/dbraw/zinc/71/24/06/184712406.db2.gz DOHWPGXAFVQLMP-YPMHNXCESA-N 0 0 278.381 2.427 10 30 CEEERN N#C[C@@]1(NC2CC2)CCC[C@@H](OCC2CCOCC2)C1 ZINC000093746117 184712450 /nfs/dbraw/zinc/71/24/50/184712450.db2.gz ARWBOYZKFJKIIX-HZPDHXFCSA-N 0 0 278.396 2.387 10 30 CEEERN CC(C)[C@H](C#N)NC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000094190560 184761171 /nfs/dbraw/zinc/76/11/71/184761171.db2.gz MRDFGRCZSRETDX-QMMMGPOBSA-N 0 0 283.234 2.151 10 30 CEEERN C=CCNC(=O)[C@H](C)Sc1ccc(N)cc1OC ZINC000094259636 184770938 /nfs/dbraw/zinc/77/09/38/184770938.db2.gz DTZVYEHIVSYJLE-VIFPVBQESA-N 0 0 266.366 2.060 10 30 CEEERN C#CCNC(=O)c1sc2nc(C(F)(F)F)ccc2c1N ZINC000094338329 184783184 /nfs/dbraw/zinc/78/31/84/184783184.db2.gz RGKBVMSCFNXWEW-UHFFFAOYSA-N 0 0 299.277 2.260 10 30 CEEERN O=C1C(=O)N(CC#Cc2ccccc2)c2c1cccc2F ZINC000094613445 184826072 /nfs/dbraw/zinc/82/60/72/184826072.db2.gz ZVLVAZOYXAILCR-UHFFFAOYSA-N 0 0 279.270 2.407 10 30 CEEERN C=CCN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21 ZINC000094657946 184836488 /nfs/dbraw/zinc/83/64/88/184836488.db2.gz JVTFWUZZTUHRRR-UHFFFAOYSA-N 0 0 255.195 2.421 10 30 CEEERN CC(C)c1nn(-c2ccc(C#N)cc2)c(N)c1[N+](=O)[O-] ZINC000095028379 184918437 /nfs/dbraw/zinc/91/84/37/184918437.db2.gz DSQNNMSNVOUQSH-UHFFFAOYSA-N 0 0 271.280 2.358 10 30 CEEERN N#CCOc1ccccc1NC(=O)C[C@@H]1CCCCO1 ZINC000095031777 184918789 /nfs/dbraw/zinc/91/87/89/184918789.db2.gz BSIIRLIZJKXYKN-LBPRGKRZSA-N 0 0 274.320 2.487 10 30 CEEERN Cc1ccc(NC(=O)C[C@H]2CCCCO2)cc1C#CCO ZINC000095032745 184919286 /nfs/dbraw/zinc/91/92/86/184919286.db2.gz GMQVMHGPAKOTCO-MRXNPFEDSA-N 0 0 287.359 2.237 10 30 CEEERN Cc1cc2c(c(C)c1)N(CC#N)C(=O)C21O[C@H](C)[C@@H](C)O1 ZINC000026463763 292001129 /nfs/dbraw/zinc/00/11/29/292001129.db2.gz MMSQARIINBITTH-VXGBXAGGSA-N 0 0 286.331 2.150 10 30 CEEERN C[C@@H](O)c1ccc(N2CCO[C@@H](C#N)C2)c(Cl)c1 ZINC000093933053 135082612 /nfs/dbraw/zinc/08/26/12/135082612.db2.gz AQFHGTFYDLWHLI-KOLCDFICSA-N 0 0 266.728 2.122 10 30 CEEERN C[C@@H](O)c1ccc(N2CCO[C@H](C#N)C2)cc1Cl ZINC000093933128 135082755 /nfs/dbraw/zinc/08/27/55/135082755.db2.gz YTGKMAVFSSQIQR-MWLCHTKSSA-N 0 0 266.728 2.122 10 30 CEEERN C=C(C(=O)OC)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000019836065 394471378 /nfs/dbraw/zinc/47/13/78/394471378.db2.gz MAYIKXYPBWXHSD-SNVBAGLBSA-N 0 0 260.211 2.468 10 30 CEEERN C=CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000302116780 394472234 /nfs/dbraw/zinc/47/22/34/394472234.db2.gz CHJDRMVKKCATBL-NSHDSACASA-N 0 0 293.279 2.284 10 30 CEEERN CC[C@](C)(C#N)C(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000355688630 394502944 /nfs/dbraw/zinc/50/29/44/394502944.db2.gz ZORACBNNEZWLFP-GFQSEFKGSA-N 0 0 252.358 2.246 10 30 CEEERN CON=C1CCc2cc([C@@H](O)[C@H](O)c3ccncc3)ccc21 ZINC000255967768 394594674 /nfs/dbraw/zinc/59/46/74/394594674.db2.gz CSJXMGWIFCRNGY-IAGOWNOFSA-N 0 0 298.342 2.145 10 30 CEEERN CC#CCNC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000135065605 394962385 /nfs/dbraw/zinc/96/23/85/394962385.db2.gz WXKALHFWOMCBPB-NSHDSACASA-N 0 0 276.336 2.087 10 30 CEEERN Cc1nc(N2C[C@H](O)CC[C@@H]2C)c(Cl)cc1C#N ZINC000399353407 395244813 /nfs/dbraw/zinc/24/48/13/395244813.db2.gz ZJSUKIYLQFLGBB-GZMMTYOYSA-N 0 0 265.744 2.265 10 30 CEEERN N#Cc1cccc2c1CN(C[C@H]1CCC[C@@H](O)C1)C2 ZINC000405064515 395287876 /nfs/dbraw/zinc/28/78/76/395287876.db2.gz VPRRMJCKVHDBIF-SWLSCSKDSA-N 0 0 256.349 2.425 10 30 CEEERN COC(=O)c1cc([N+](=O)[O-])c(C#N)cc1C(F)F ZINC000575344223 395660288 /nfs/dbraw/zinc/66/02/88/395660288.db2.gz WFRYBORKPAUHIU-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COC(=O)c1cc(C#N)cc(C(F)F)c1[N+](=O)[O-] ZINC000575344184 395660333 /nfs/dbraw/zinc/66/03/33/395660333.db2.gz TYQAQZFPESXETB-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN CCOC(=O)Cc1c(Cl)cc(C#N)cc1[N+](=O)[O-] ZINC000575382895 395662378 /nfs/dbraw/zinc/66/23/78/395662378.db2.gz PEEDEOCDOFCICG-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)c1cc(Br)c([N+](=O)[O-])c(C#N)c1 ZINC000575383367 395662603 /nfs/dbraw/zinc/66/26/03/395662603.db2.gz CNFSNZAQOYASEB-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCc1c(CC(=O)OC)cc(C#N)cc1OC(F)F ZINC000575385203 395662805 /nfs/dbraw/zinc/66/28/05/395662805.db2.gz CKDZGLJFIBIUGM-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCc1cc(C#N)c(CC(=O)OC)cc1OC(F)F ZINC000575385544 395662873 /nfs/dbraw/zinc/66/28/73/395662873.db2.gz ZEGRYOVHRFCBTA-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1F ZINC000575385783 395662946 /nfs/dbraw/zinc/66/29/46/395662946.db2.gz KXOAMFQRFQSWGZ-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN COC(=O)Cc1ccc(OC(F)F)c(C#N)c1F ZINC000575386030 395662996 /nfs/dbraw/zinc/66/29/96/395662996.db2.gz VLOVBRSKDKLYJX-UHFFFAOYSA-N 0 0 259.183 2.014 10 30 CEEERN CCOC(=O)c1cc(C#N)c(OC(F)F)cc1O ZINC000575385789 395663070 /nfs/dbraw/zinc/66/30/70/395663070.db2.gz LGSZJSNSPOYFII-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)c1ccc(OC(F)F)c(C#N)c1C=O ZINC000575386154 395663193 /nfs/dbraw/zinc/66/31/93/395663193.db2.gz WRWVWKMBBATWGT-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)Cc1cc(C#N)cc(O)c1C(F)F ZINC000575387739 395663385 /nfs/dbraw/zinc/66/33/85/395663385.db2.gz NFCNNKAUZSZGDF-UHFFFAOYSA-N 0 0 255.220 2.307 10 30 CEEERN CCOC(=O)c1cc(OC)cc(OC(F)F)c1C#N ZINC000575388481 395663636 /nfs/dbraw/zinc/66/36/36/395663636.db2.gz KIZCWJBCZMLMET-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1OC ZINC000575388856 395663799 /nfs/dbraw/zinc/66/37/99/395663799.db2.gz ZBPWTUWQJKNXJY-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN CCOC(=O)c1c(C#N)c(C=O)ccc1C(F)F ZINC000575389984 395663992 /nfs/dbraw/zinc/66/39/92/395663992.db2.gz YKPUNNNKGQZCES-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN CCOC(=O)Cc1cc([N+](=O)[O-])c(CC)cc1C#N ZINC000575389010 395664010 /nfs/dbraw/zinc/66/40/10/395664010.db2.gz QEAGGNIYEFXERT-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(C(F)F)c1[N+](=O)[O-] ZINC000575389193 395664087 /nfs/dbraw/zinc/66/40/87/395664087.db2.gz DITDJDZHQGQUDJ-UHFFFAOYSA-N 0 0 270.191 2.120 10 30 CEEERN CCC[C@@](C)(CO)COS(=O)(=O)c1ccc(C)cc1 ZINC000584614862 395665507 /nfs/dbraw/zinc/66/55/07/395665507.db2.gz NLGUKSOYFZCEPV-AWEZNQCLSA-N 0 0 286.393 2.499 10 30 CEEERN N#Cc1ccc(NCC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000094591698 400245579 /nfs/dbraw/zinc/24/55/79/400245579.db2.gz NZXSQHLTYLBFFQ-LBPRGKRZSA-N 0 0 261.281 2.447 10 30 CEEERN CC(C)[C@@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184593368 165433519 /nfs/dbraw/zinc/43/35/19/165433519.db2.gz QBUBSAZBRSPDPE-LLVKDONJSA-N 0 0 298.350 2.305 10 30 CEEERN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccs1 ZINC000005645118 170123369 /nfs/dbraw/zinc/12/33/69/170123369.db2.gz WTVIYFAZZDXVLY-NSHDSACASA-N 0 0 278.333 2.105 10 30 CEEERN CCCCCCC1=CC[C@@H](C(C(=O)OC)C(=O)OC)C1=O ZINC000005820261 170143971 /nfs/dbraw/zinc/14/39/71/170143971.db2.gz QJSAZIYBBQRVEA-LBPRGKRZSA-N 0 0 296.363 2.434 10 30 CEEERN CCCSc1nnc(NN=Cc2ccc(O)cc2O)[nH]1 ZINC000006044674 170171240 /nfs/dbraw/zinc/17/12/40/170171240.db2.gz UDXKXGOFEASEMW-NTUHNPAUSA-N 0 0 293.352 2.164 10 30 CEEERN C=CCNC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000008316689 170330584 /nfs/dbraw/zinc/33/05/84/170330584.db2.gz CZJYMMMJFPCKDP-UHFFFAOYSA-N 0 0 255.701 2.273 10 30 CEEERN C=CCSc1nc2c(c(=O)n1C)S[C@H](C)C2 ZINC000008736022 170351854 /nfs/dbraw/zinc/35/18/54/170351854.db2.gz ADSMAKTULLCNEX-SSDOTTSWSA-N 0 0 254.380 2.095 10 30 CEEERN N#Cc1ccc(C(=O)Nc2onc3c2CCC3)cc1 ZINC000008976381 170359820 /nfs/dbraw/zinc/35/98/20/170359820.db2.gz GSGHDAFLJVLVDZ-UHFFFAOYSA-N 0 0 253.261 2.287 10 30 CEEERN C=CCNC(=S)Nc1ccc([N+](=O)[O-])cc1C ZINC000013792800 170594751 /nfs/dbraw/zinc/59/47/51/170594751.db2.gz QBFCJDJVFLSBCD-UHFFFAOYSA-N 0 0 251.311 2.376 10 30 CEEERN COCCNC(=S)N/N=C1\C[C@H](C)CC(C)(C)C1 ZINC000005446420 292557724 /nfs/dbraw/zinc/55/77/24/292557724.db2.gz XNRQGFRCISDTHB-MKNMWBPTSA-N 0 0 271.430 2.299 10 30 CEEERN N#Cc1ccccc1OCC(=O)Nc1ccc(F)cc1N ZINC000019393934 170782440 /nfs/dbraw/zinc/78/24/40/170782440.db2.gz TZBNQTLGQNSPNU-UHFFFAOYSA-N 0 0 285.278 2.297 10 30 CEEERN O=C(c1cc2c(s1)CCC2)N1CCC(=NO)CC1 ZINC000019433539 170798492 /nfs/dbraw/zinc/79/84/92/170798492.db2.gz TYEGTTFTPRHVNU-UHFFFAOYSA-N 0 0 264.350 2.303 10 30 CEEERN N/C(=N\O)c1ccc(Sc2nc3ccccc3[nH]2)nc1 ZINC000019847811 170896971 /nfs/dbraw/zinc/89/69/71/170896971.db2.gz BWQZCXGWELTDJW-UHFFFAOYSA-N 0 0 285.332 2.204 10 30 CEEERN Cc1ccc(NS(=O)(=O)Cc2ccccc2C#N)nc1 ZINC000019984887 170960594 /nfs/dbraw/zinc/96/05/94/170960594.db2.gz CYRCSXZGBDSUGJ-UHFFFAOYSA-N 0 0 287.344 2.204 10 30 CEEERN C#CCNC(=O)[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000020366915 171165343 /nfs/dbraw/zinc/16/53/43/171165343.db2.gz NFWSXIPCRXEMFS-SECBINFHSA-N 0 0 270.254 2.255 10 30 CEEERN O=C1C(=O)/C(=C\c2ccccc2OCCO)c2ccccc21 ZINC000033897860 171824866 /nfs/dbraw/zinc/82/48/66/171824866.db2.gz MIDXQLLSDUGEDX-PTNGSMBKSA-N 0 0 294.306 2.364 10 30 CEEERN C=C(Cl)COc1c(OC)cc(CO)cc1OC ZINC000035663235 172342121 /nfs/dbraw/zinc/34/21/21/172342121.db2.gz CGEJWYSJBSUCAA-UHFFFAOYSA-N 0 0 258.701 2.327 10 30 CEEERN C#CC(=O)Nc1ccc(C(=O)OCC)cc1Br ZINC000036817067 172730861 /nfs/dbraw/zinc/73/08/61/172730861.db2.gz JOLNNMHMIOSXBB-UHFFFAOYSA-N 0 0 296.120 2.198 10 30 CEEERN CCCCc1ccc(NCC(=O)NCCC#N)cc1 ZINC000037249769 173062344 /nfs/dbraw/zinc/06/23/44/173062344.db2.gz XBHRWBNMSGRVKX-UHFFFAOYSA-N 0 0 259.353 2.471 10 30 CEEERN CC(C)C[C@@H](C)NS(=O)(=O)Cc1ccccc1C#N ZINC000037265302 173074060 /nfs/dbraw/zinc/07/40/60/173074060.db2.gz WBXFHZHFLHCCNG-GFCCVEGCSA-N 0 0 280.393 2.412 10 30 CEEERN N#Cc1ccc(CNC(=O)c2ccc(N)cc2)cc1 ZINC000037748537 173670239 /nfs/dbraw/zinc/67/02/39/173670239.db2.gz DDYLCQSFOAAJDN-UHFFFAOYSA-N 0 0 251.289 2.070 10 30 CEEERN N#Cc1cc([N+](=O)[O-])ccc1-n1cc(Br)cn1 ZINC000038074907 174084853 /nfs/dbraw/zinc/08/48/53/174084853.db2.gz CIQVSVBBBAZQQK-UHFFFAOYSA-N 0 0 293.080 2.415 10 30 CEEERN N#Cc1cccnc1NCCOc1cccc(N)c1 ZINC000038080048 174090157 /nfs/dbraw/zinc/09/01/57/174090157.db2.gz KCQDLKDCNLDPAJ-UHFFFAOYSA-N 0 0 254.293 2.026 10 30 CEEERN CC(C)N(CCCO)C(=O)Nc1ccc(C#N)cc1 ZINC000038099779 174114924 /nfs/dbraw/zinc/11/49/24/174114924.db2.gz BZQJZJMAMJONAV-UHFFFAOYSA-N 0 0 261.325 2.183 10 30 CEEERN C=CCn1c(CNC(=O)C2CC2)nc2ccccc21 ZINC000040190710 174203038 /nfs/dbraw/zinc/20/30/38/174203038.db2.gz FDCKRVIQLCULFN-UHFFFAOYSA-N 0 0 255.321 2.249 10 30 CEEERN C#CCn1c(CCCNC(=O)CC)nc2ccccc21 ZINC000040203976 174203659 /nfs/dbraw/zinc/20/36/59/174203659.db2.gz QSGSFDUNQUMQNE-UHFFFAOYSA-N 0 0 269.348 2.128 10 30 CEEERN CN(C(=O)c1ccc(C#N)cc1)c1cccc(N)c1 ZINC000041022228 174452050 /nfs/dbraw/zinc/45/20/50/174452050.db2.gz HPECATJNKJHJSZ-UHFFFAOYSA-N 0 0 251.289 2.417 10 30 CEEERN CCN(C[C@H](C)/C(N)=N/O)C(=O)c1cccc(Cl)c1 ZINC000042445678 174740078 /nfs/dbraw/zinc/74/00/78/174740078.db2.gz FDJKQNRORBIDMN-VIFPVBQESA-N 0 0 283.759 2.185 10 30 CEEERN CC[C@](C)(C#N)NS(=O)(=O)CC1CCCCC1 ZINC000042520705 174772055 /nfs/dbraw/zinc/77/20/55/174772055.db2.gz KHCDDCMLHLMTHL-GFCCVEGCSA-N 0 0 258.387 2.178 10 30 CEEERN Cc1ccc(N)cc1NC(=O)[C@@H](C)N(CCC#N)C1CC1 ZINC000042530957 174781364 /nfs/dbraw/zinc/78/13/64/174781364.db2.gz CSHZVNCOJODKCT-GFCCVEGCSA-N 0 0 286.379 2.282 10 30 CEEERN COCCN(c1ccc(C#N)cc1N)[C@H](C)C1CC1 ZINC000042614655 174827938 /nfs/dbraw/zinc/82/79/38/174827938.db2.gz JPGIORQNNNTXQL-LLVKDONJSA-N 0 0 259.353 2.392 10 30 CEEERN CCOC(=O)CSCc1cc(C#CCCO)cs1 ZINC000043699710 175097282 /nfs/dbraw/zinc/09/72/82/175097282.db2.gz WZAWBXYPIXFBCU-UHFFFAOYSA-N 0 0 284.402 2.278 10 30 CEEERN OCC#Cc1csc(COc2ccc(CO)cc2)c1 ZINC000043699421 175097319 /nfs/dbraw/zinc/09/73/19/175097319.db2.gz FVWYGBBQESRHHU-UHFFFAOYSA-N 0 0 274.341 2.163 10 30 CEEERN N#CC1(C(=O)N2CCSCC2)CCCCCC1 ZINC000044765292 175248822 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C[C@@H]1CC[C@H](C)N(C(=O)c2ccncc2C#CCCO)C1 ZINC000091460536 180161419 /nfs/dbraw/zinc/16/14/19/180161419.db2.gz URXTWWGRKFRJBY-KGLIPLIRSA-N 0 0 286.375 2.076 10 30 CEEERN COC(=O)c1cncc(Nc2ccc(CC#N)cc2)n1 ZINC000091421470 180150884 /nfs/dbraw/zinc/15/08/84/180150884.db2.gz MZILIIORNPXBBW-UHFFFAOYSA-N 0 0 268.276 2.073 10 30 CEEERN N/C(=N/O)c1ccc(C(=O)OCc2ccccc2)cc1 ZINC000091690644 180227171 /nfs/dbraw/zinc/22/71/71/180227171.db2.gz IIFNQFGISPPFLN-UHFFFAOYSA-N 0 0 270.288 2.138 10 30 CEEERN CC(C)(C)C1CCC(C(=O)N2CCNC[C@H]2C#N)CC1 ZINC000091749500 180246157 /nfs/dbraw/zinc/24/61/57/180246157.db2.gz NSKVEOVCDJTRPP-JXQTWKCFSA-N 0 0 277.412 2.163 10 30 CEEERN N#Cc1ncccc1Cn1ccc([C@@H](O)C2CC2)c1 ZINC000091834275 180266927 /nfs/dbraw/zinc/26/69/27/180266927.db2.gz WMKTWJVWYSTOBJ-HNNXBMFYSA-N 0 0 253.305 2.246 10 30 CEEERN Cc1cc(NC(=O)N2CCCCC2)ccc1C#CCO ZINC000091969624 180295006 /nfs/dbraw/zinc/29/50/06/180295006.db2.gz UUERNSBOLKZPJN-UHFFFAOYSA-N 0 0 272.348 2.357 10 30 CEEERN C[C@@](O)(c1ccc(Cl)cc1)[C@]1(C#N)CCOC1 ZINC000091877688 180278869 /nfs/dbraw/zinc/27/88/69/180278869.db2.gz CSKAUWAVBAGFKW-OLZOCXBDSA-N 0 0 251.713 2.478 10 30 CEEERN COc1cc([C@@H](O)C2(C#N)CCC2)cc(OC)c1OC ZINC000091881159 180279291 /nfs/dbraw/zinc/27/92/91/180279291.db2.gz LHZKLDJOCAKHOK-CQSZACIVSA-N 0 0 277.320 2.440 10 30 CEEERN N#CC1([C@@H](O)c2cc3c(c(Cl)c2)OCO3)CCOCC1 ZINC000091880888 180279377 /nfs/dbraw/zinc/27/93/77/180279377.db2.gz FJZRMUHGGDFCJZ-ZDUSSCGKSA-N 0 0 295.722 2.422 10 30 CEEERN N#C[C@@]1([C@H](O)c2ccc(OC(F)F)cc2)CCOC1 ZINC000091879937 180279514 /nfs/dbraw/zinc/27/95/14/180279514.db2.gz YGMHVXXZAHZISQ-YPMHNXCESA-N 0 0 269.247 2.252 10 30 CEEERN N#C[C@@]1([C@@H](O)c2ccncn2)CCc2ccccc2C1 ZINC000091885152 180280070 /nfs/dbraw/zinc/28/00/70/180280070.db2.gz BSVWAKGXEDEUCN-JKSUJKDBSA-N 0 0 265.316 2.209 10 30 CEEERN CC1(C)CCC(C#N)([C@]2(O)CCC[C@H]2S(C)(=O)=O)CC1 ZINC000091888067 180280416 /nfs/dbraw/zinc/28/04/16/180280416.db2.gz PJGUTEKGHHCTJM-DOMZBBRYSA-N 0 0 299.436 2.425 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@@]1(O)C1(C#N)CCCCCC1 ZINC000091888153 180280847 /nfs/dbraw/zinc/28/08/47/180280847.db2.gz BKZWHIPHOZAXPR-JSGCOSHPSA-N 0 0 285.409 2.179 10 30 CEEERN COC(OC)[C@](C)(O)[C@]1(C#N)CCc2ccccc2C1 ZINC000091904256 180282908 /nfs/dbraw/zinc/28/29/08/180282908.db2.gz MPIHFEIRDDGCKQ-JKSUJKDBSA-N 0 0 275.348 2.055 10 30 CEEERN CCn1cncc1[C@@H](O)C1(C#N)Cc2ccccc2C1 ZINC000091904354 180283065 /nfs/dbraw/zinc/28/30/65/180283065.db2.gz RUOIDOWEZFOPDT-OAHLLOKOSA-N 0 0 267.332 2.245 10 30 CEEERN COC(C[C@@](C)(O)[C@@]1(C#N)CCc2ccccc21)OC ZINC000091904193 180283097 /nfs/dbraw/zinc/28/30/97/180283097.db2.gz QZBOLOHBHVSLTD-HZPDHXFCSA-N 0 0 275.348 2.154 10 30 CEEERN CCn1cncc1[C@H](O)[C@]1(C#N)CCc2ccccc21 ZINC000091904389 180283121 /nfs/dbraw/zinc/28/31/21/180283121.db2.gz JKOMUZSQEBSOGT-HOTGVXAUSA-N 0 0 267.332 2.344 10 30 CEEERN Cn1cncc1[C@@H](O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000091904324 180283326 /nfs/dbraw/zinc/28/33/26/180283326.db2.gz IPGNYPXEXAVBKX-CVEARBPZSA-N 0 0 267.332 2.152 10 30 CEEERN C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#CCO)C1 ZINC000091992189 180300388 /nfs/dbraw/zinc/30/03/88/180300388.db2.gz OQADINTYBWTHDW-LBPRGKRZSA-N 0 0 290.338 2.433 10 30 CEEERN Cc1ccc(CNS(=O)(=O)c2ccc(CC#N)cc2)o1 ZINC000092132019 180329785 /nfs/dbraw/zinc/32/97/85/180329785.db2.gz JDTUUECZIJWGFQ-UHFFFAOYSA-N 0 0 290.344 2.133 10 30 CEEERN CCCCCNS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092130934 180329845 /nfs/dbraw/zinc/32/98/45/180329845.db2.gz ZYEVBMPBNJAGTR-UHFFFAOYSA-N 0 0 266.366 2.221 10 30 CEEERN C[C@H]1C[C@H]1CN(C)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092132260 180330214 /nfs/dbraw/zinc/33/02/14/180330214.db2.gz LDVIUCDRYSTBNB-AAEUAGOBSA-N 0 0 278.377 2.029 10 30 CEEERN C[C@H](O)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000092157075 180335986 /nfs/dbraw/zinc/33/59/86/180335986.db2.gz OMQFYFWRXWFYBX-QMMMGPOBSA-N 0 0 264.350 2.208 10 30 CEEERN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCO)sc2C1 ZINC000092157063 180335990 /nfs/dbraw/zinc/33/59/90/180335990.db2.gz LIEHMHFLDVULTG-SECBINFHSA-N 0 0 278.377 2.456 10 30 CEEERN C#CCNCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000092482107 180394815 /nfs/dbraw/zinc/39/48/15/180394815.db2.gz XFCQCURSBHLQBJ-MGPQQGTHSA-N 0 0 251.370 2.213 10 30 CEEERN C=CC[N@@H+](CC(=O)[O-])C[C@H]1CSc2ccccc21 ZINC000092465706 180390832 /nfs/dbraw/zinc/39/08/32/180390832.db2.gz BJUXBBWPJYPCNM-NSHDSACASA-N 0 0 263.362 2.449 10 30 CEEERN N#Cc1c(F)cccc1-n1c(N)nc2cnccc21 ZINC000092513736 180399520 /nfs/dbraw/zinc/39/95/20/180399520.db2.gz LLQBOSXFDLQZGI-UHFFFAOYSA-N 0 0 253.240 2.013 10 30 CEEERN CCOC(=O)[C@@]1(CC)O[C@@]1(C)c1ccc2c(c1)OCCO2 ZINC000092597880 180411571 /nfs/dbraw/zinc/41/15/71/180411571.db2.gz KALNWKCTZLZZMB-JKSUJKDBSA-N 0 0 292.331 2.415 10 30 CEEERN CNC(=O)c1ccc(N)c(NCc2cccc(C#N)c2)c1 ZINC000109533288 186259888 /nfs/dbraw/zinc/25/98/88/186259888.db2.gz FOBLXHJPIFCAOK-UHFFFAOYSA-N 0 0 280.331 2.112 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000109448607 186252637 /nfs/dbraw/zinc/25/26/37/186252637.db2.gz HIACVMFBOLBKOR-GFCCVEGCSA-N 0 0 290.342 2.277 10 30 CEEERN CC[C@H](C#N)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000109454553 186253970 /nfs/dbraw/zinc/25/39/70/186253970.db2.gz AWNXIDQFKZJBKZ-OAHLLOKOSA-N 0 0 273.380 2.115 10 30 CEEERN CN(CC1CCCC1)C(=O)c1cc(F)ccc1C#CCO ZINC000110847510 186328330 /nfs/dbraw/zinc/32/83/30/186328330.db2.gz AIKZEBYSAKDWBQ-UHFFFAOYSA-N 0 0 289.350 2.432 10 30 CEEERN CS(=O)(=O)CCSc1ccc(C#N)c(Cl)c1 ZINC000110871445 186329779 /nfs/dbraw/zinc/32/97/79/186329779.db2.gz BHQYOYDYXXZISZ-UHFFFAOYSA-N 0 0 275.782 2.348 10 30 CEEERN N#Cc1cccc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000110876416 186330879 /nfs/dbraw/zinc/33/08/79/186330879.db2.gz RFGPRXYZWPIFSN-CYBMUJFWSA-N 0 0 299.355 2.228 10 30 CEEERN CS(=O)(=O)CCS[C@@H](CC#N)c1ccccc1 ZINC000111004802 186340660 /nfs/dbraw/zinc/34/06/60/186340660.db2.gz TUHPCHNEKYJTEZ-LBPRGKRZSA-N 0 0 269.391 2.419 10 30 CEEERN C[C@H](Sc1ccncn1)C(=O)Nc1ccc(C#N)cc1 ZINC000111114209 186353475 /nfs/dbraw/zinc/35/34/75/186353475.db2.gz IMVCJTOBONTHJE-JTQLQIEISA-N 0 0 284.344 2.468 10 30 CEEERN C[C@@H](Sc1ccncn1)C(=O)Nc1ccccc1C#N ZINC000111114240 186353875 /nfs/dbraw/zinc/35/38/75/186353875.db2.gz BPZNHYJJYVLFKQ-SNVBAGLBSA-N 0 0 284.344 2.468 10 30 CEEERN Cc1c(N)cccc1NC(=O)c1ccc(C#N)cn1 ZINC000111280537 186387660 /nfs/dbraw/zinc/38/76/60/186387660.db2.gz DWZRWNLAMHPHIP-UHFFFAOYSA-N 0 0 252.277 2.096 10 30 CEEERN CCCc1nn(-c2ccc(C)nn2)c(Cl)c1C#N ZINC000111728088 186451166 /nfs/dbraw/zinc/45/11/66/186451166.db2.gz PZYZZPMBUASMBN-UHFFFAOYSA-N 0 0 261.716 2.448 10 30 CEEERN N#C[C@@H](NC(=O)c1ccnc(C2CC2)n1)c1ccsc1 ZINC000069703174 362992807 /nfs/dbraw/zinc/99/28/07/362992807.db2.gz ZBUXUGXBCXOSFQ-GFCCVEGCSA-N 0 0 284.344 2.410 10 30 CEEERN N#Cc1ccc(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000070158860 363039880 /nfs/dbraw/zinc/03/98/80/363039880.db2.gz VZNAJVJVAZITMV-JKSUJKDBSA-N 0 0 284.359 2.271 10 30 CEEERN C=CCCS(=O)(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000121054948 186948098 /nfs/dbraw/zinc/94/80/98/186948098.db2.gz YCCLBUQZZWUQHJ-NSHDSACASA-N 0 0 299.396 2.236 10 30 CEEERN N#Cc1ccc(N2CCC[C@H]2CO)c(Br)c1 ZINC000123601006 187100507 /nfs/dbraw/zinc/10/05/07/187100507.db2.gz OUMUFVXZOUXLAY-JTQLQIEISA-N 0 0 281.153 2.282 10 30 CEEERN C#CCCCCNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000154908630 188168773 /nfs/dbraw/zinc/16/87/73/188168773.db2.gz YODONXPDYNIZLJ-HNNXBMFYSA-N 0 0 288.395 2.169 10 30 CEEERN CN1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C[C@H]1C#N ZINC000329966880 282884067 /nfs/dbraw/zinc/88/40/67/282884067.db2.gz SDGKBMYOIDAJDK-GBJTYRQASA-N 0 0 290.411 2.009 10 30 CEEERN C#CCOc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]1C ZINC000173781992 188867976 /nfs/dbraw/zinc/86/79/76/188867976.db2.gz XHCWFDCBWBLCBQ-KOLCDFICSA-N 0 0 262.284 2.368 10 30 CEEERN N#Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccn1 ZINC000195044205 283091304 /nfs/dbraw/zinc/09/13/04/283091304.db2.gz OWTQTIFGIWQPMB-AWEZNQCLSA-N 0 0 279.299 2.207 10 30 CEEERN CN(CCC#N)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000075195257 363449800 /nfs/dbraw/zinc/44/98/00/363449800.db2.gz HATQIRCWTRITFV-NEPJUHHUSA-N 0 0 295.383 2.052 10 30 CEEERN COC(=O)[C@@H]1O[C@]1(C)c1ccc(Br)cc1F ZINC000132279325 540161747 /nfs/dbraw/zinc/16/17/47/540161747.db2.gz LPFXIIGQPQSLAE-GXSJLCMTSA-N 0 0 289.100 2.375 10 30 CEEERN N#Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)o1 ZINC000313525251 283131765 /nfs/dbraw/zinc/13/17/65/283131765.db2.gz MGGBZGPXDMIUSW-LBPRGKRZSA-N 0 0 268.272 2.405 10 30 CEEERN COC(=O)c1ccc(OC(F)(F)F)c(F)c1C#N ZINC000575390533 366267857 /nfs/dbraw/zinc/26/78/57/366267857.db2.gz UMBGFMMOFKPFMP-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(C(F)(F)F)c(C=O)c1 ZINC000575391313 366268092 /nfs/dbraw/zinc/26/80/92/366268092.db2.gz JOOPLIWRXXUDJK-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1C=O ZINC000575391507 366268163 /nfs/dbraw/zinc/26/81/63/366268163.db2.gz OQDFTNYRVLCPTL-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)c1c(C#N)ccc(C=O)c1OC(F)(F)F ZINC000575391270 366268547 /nfs/dbraw/zinc/26/85/47/366268547.db2.gz RUICPHLMENNIID-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN COC(=O)c1c(C#N)ccc(C(F)(F)F)c1C=O ZINC000575391394 366268583 /nfs/dbraw/zinc/26/85/83/366268583.db2.gz LFNVWWWJHYSCLK-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN CCOC(=O)c1c(O)cc(C#N)cc1OC(F)(F)F ZINC000575391890 366269654 /nfs/dbraw/zinc/26/96/54/366269654.db2.gz TZRWTJSFOZZVJL-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C=O)c(C(F)(F)F)c1 ZINC000575391861 366269846 /nfs/dbraw/zinc/26/98/46/366269846.db2.gz XVEFEMFHLVNZOD-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN COC(=O)c1cc(C(F)(F)F)cc(C=O)c1C#N ZINC000575391795 366269868 /nfs/dbraw/zinc/26/98/68/366269868.db2.gz VHSGKTUGQYKKOM-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN CCOC(=O)Cc1ccc(O)c(C#N)c1OC(F)(F)F ZINC000575392053 366271322 /nfs/dbraw/zinc/27/13/22/366271322.db2.gz NKMCQOMMGYTYNH-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN COC(=O)c1cc(OC)c(OC(F)(F)F)cc1C#N ZINC000575394008 366272488 /nfs/dbraw/zinc/27/24/88/366272488.db2.gz DLDFVYKLAIRUQP-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)Cc1c(C#N)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575395555 366276187 /nfs/dbraw/zinc/27/61/87/366276187.db2.gz HAZSXLQWHJQAHN-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN N#CCc1ccc(C#N)c([N+](=O)[O-])c1OC(F)(F)F ZINC000575649449 366312242 /nfs/dbraw/zinc/31/22/42/366312242.db2.gz NEBPGBFPOOEFMQ-UHFFFAOYSA-N 0 0 271.154 2.431 10 30 CEEERN CCOC(=O)Cc1cc(OCC)c(C#N)cc1OCC ZINC000575670116 366323536 /nfs/dbraw/zinc/32/35/36/366323536.db2.gz FNJVIFRYKXSPHI-UHFFFAOYSA-N 0 0 277.320 2.461 10 30 CEEERN N#CCc1c(N)c(Br)ccc1[N+](=O)[O-] ZINC000575714370 366341059 /nfs/dbraw/zinc/34/10/59/366341059.db2.gz GISIRSQYDVJWJW-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN N#CCc1ccc([N+](=O)[O-])c(Br)c1N ZINC000575714946 366341789 /nfs/dbraw/zinc/34/17/89/366341789.db2.gz QEOYIIODUZWYCC-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN C#CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000685960278 540659662 /nfs/dbraw/zinc/65/96/62/540659662.db2.gz BVFAZVIXWLHTQC-MNOVXSKESA-N 0 0 251.326 2.082 10 30 CEEERN 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CEEERN N#C[C@]1(c2ccccc2Br)C[C@H]1CO ZINC000132789981 344365398 /nfs/dbraw/zinc/36/53/98/344365398.db2.gz BVKRTMLAZADEJD-GZMMTYOYSA-N 0 0 252.111 2.223 10 30 CEEERN C=C(C)C(=O)OCC(=O)O[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000149468841 344414825 /nfs/dbraw/zinc/41/48/25/344414825.db2.gz MAAVBOYSYHVZJK-KKZNHRDASA-N 0 0 290.406 2.232 10 30 CEEERN COc1ccc(Br)cc1C(=O)N[C@H](C)C#N ZINC000161999614 344466314 /nfs/dbraw/zinc/46/63/14/344466314.db2.gz BZQFENLXSRAKNI-SSDOTTSWSA-N 0 0 283.125 2.100 10 30 CEEERN CC(C)(C#N)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000162050710 344466425 /nfs/dbraw/zinc/46/64/25/344466425.db2.gz FHMAUTNYUNCGOC-MRXNPFEDSA-N 0 0 256.349 2.462 10 30 CEEERN C#C[C@@H](C)NC(=O)c1cccc(F)c1Br ZINC000166855274 344477257 /nfs/dbraw/zinc/47/72/57/344477257.db2.gz ZMXRLYANGZFWPH-SSDOTTSWSA-N 0 0 270.101 2.340 10 30 CEEERN CC#CCCn1c(C)c(Br)c(C)nc1=O ZINC000168361042 344480462 /nfs/dbraw/zinc/48/04/62/344480462.db2.gz YSCNDRWYDLHTIY-UHFFFAOYSA-N 0 0 269.142 2.036 10 30 CEEERN 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ZINC000307162384 344720284 /nfs/dbraw/zinc/72/02/84/344720284.db2.gz IAFRBIARDYYTTM-UHFFFAOYSA-N 0 0 253.099 2.131 10 30 CEEERN COC[C@H](C#N)Nc1ccc(Br)cc1 ZINC000307395875 344722290 /nfs/dbraw/zinc/72/22/90/344722290.db2.gz AHYGWEYBUDRGCS-JTQLQIEISA-N 0 0 255.115 2.400 10 30 CEEERN N#CCCNC(=O)c1cnc(Cl)c(Br)c1 ZINC000307627844 344723737 /nfs/dbraw/zinc/72/37/37/344723737.db2.gz VXHUSMVBMOFKHD-UHFFFAOYSA-N 0 0 288.532 2.141 10 30 CEEERN COc1ccc(F)c(NC(=O)C#CBr)c1 ZINC000306669517 344716205 /nfs/dbraw/zinc/71/62/05/344716205.db2.gz LFHITLYMJGVHLZ-UHFFFAOYSA-N 0 0 272.073 2.129 10 30 CEEERN COC(=O)c1c(C#N)ccc(F)c1Br ZINC000306672956 344716236 /nfs/dbraw/zinc/71/62/36/344716236.db2.gz BSGUXZXWPZPZLB-UHFFFAOYSA-N 0 0 258.046 2.246 10 30 CEEERN Cc1ccc(C(=O)NC[C@H]2CCn3ccnc3C2)c(C)n1 ZINC000328619586 344755531 /nfs/dbraw/zinc/75/55/31/344755531.db2.gz GBSTWYQLIUPVQV-ZDUSSCGKSA-N 0 0 284.363 2.462 10 30 CEEERN O=C(NC[C@H]1CCn2ccnc2C1)C1=COCCC1 ZINC000328614232 344755535 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/nfs/dbraw/zinc/96/23/62/344962362.db2.gz FGSDAYVATMZZQR-UHFFFAOYSA-N 0 0 263.318 2.195 10 30 CEEERN Cc1ccc(S(=O)(=O)O/C=C2/CCOC2)cc1 ZINC000584602667 344963136 /nfs/dbraw/zinc/96/31/36/344963136.db2.gz RSKZQSBBKNYUQT-LUAWRHEFSA-N 0 0 254.307 2.005 10 30 CEEERN O[C@H](CC#CBr)COCc1ccccc1 ZINC000584613741 344965338 /nfs/dbraw/zinc/96/53/38/344965338.db2.gz GCAQMIJXDGTJSC-GFCCVEGCSA-N 0 0 269.138 2.310 10 30 CEEERN CC(/C=C/[C@](O)(c1ccccc1)C1(C#N)CC1)=C/C(N)=O ZINC000584623955 344967847 /nfs/dbraw/zinc/96/78/47/344967847.db2.gz IZKOAQBFBQQTIN-YUQKIHBLSA-N 0 0 282.343 2.166 10 30 CEEERN OCC#CC1(O)c2ccccc2CCc2ccccc21 ZINC000584638122 344971215 /nfs/dbraw/zinc/97/12/15/344971215.db2.gz QRMHKTMTMSHESJ-UHFFFAOYSA-N 0 0 264.324 2.017 10 30 CEEERN NC(=O)Nc1ccccc1C#Cc1cccc(N)c1 ZINC000584648793 344972859 /nfs/dbraw/zinc/97/28/59/344972859.db2.gz SKHOUNJVORXQFW-UHFFFAOYSA-N 0 0 251.289 2.159 10 30 CEEERN CC[C@H](C)[S@@](=O)CCOc1cccc(C#N)c1 ZINC000084260863 178833914 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179044947 /nfs/dbraw/zinc/04/49/47/179044947.db2.gz FVCOUBILCFYIJA-UHFFFAOYSA-N 0 0 293.392 2.337 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000061888254 362695305 /nfs/dbraw/zinc/69/53/05/362695305.db2.gz LUSHHCJRCMOPKI-WPRPVWTQSA-N 0 0 294.152 2.266 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc(F)c1 ZINC000061888858 362695308 /nfs/dbraw/zinc/69/53/08/362695308.db2.gz WBGBVRCVUAFLBS-UFBFGSQYSA-N 0 0 250.248 2.387 10 30 CEEERN N#C[C@H](CO)Cc1cc(Br)ccc1F ZINC000063064081 362747858 /nfs/dbraw/zinc/74/78/58/362747858.db2.gz DNMHSYYYITXCBB-SSDOTTSWSA-N 0 0 258.090 2.263 10 30 CEEERN COc1ccc(C[C@H](C#N)CO)cc1Br ZINC000063064225 362748383 /nfs/dbraw/zinc/74/83/83/362748383.db2.gz YYPUGKFPCIDECZ-SECBINFHSA-N 0 0 270.126 2.132 10 30 CEEERN C=CCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1C1CCCCC1 ZINC000085748428 179140999 /nfs/dbraw/zinc/14/09/99/179140999.db2.gz JFCKCZIQQKKINH-HUUCEWRRSA-N 0 0 292.423 2.494 10 30 CEEERN C=CCN1C(=O)[C@@H](c2ccccc2)NC(=O)[C@@H]1C(C)(C)C ZINC000085759191 179151270 /nfs/dbraw/zinc/15/12/70/179151270.db2.gz IJMKOHCATTUWHL-ZIAGYGMSSA-N 0 0 286.375 2.287 10 30 CEEERN N#CC[C@@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000085878855 179195860 /nfs/dbraw/zinc/19/58/60/179195860.db2.gz CLXQEGFAYWEHKG-SECBINFHSA-N 0 0 284.109 2.167 10 30 CEEERN N#C[C@]1([C@@H](O)c2ccccc2Br)CCOC1 ZINC000085887515 179196074 /nfs/dbraw/zinc/19/60/74/179196074.db2.gz UEDMRMFWSVZZNT-NWDGAFQWSA-N 0 0 282.137 2.413 10 30 CEEERN CC(C)C[C@H](CO)Nc1c(C#N)nnc2ccccc21 ZINC000085920150 179199235 /nfs/dbraw/zinc/19/92/35/179199235.db2.gz NLTVNYURJKFPGI-LLVKDONJSA-N 0 0 270.336 2.320 10 30 CEEERN C=CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000065403729 362818899 /nfs/dbraw/zinc/81/88/99/362818899.db2.gz FEKBCDHTOZPLHU-UONOGXRCSA-N 0 0 263.312 2.079 10 30 CEEERN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CCO)cc1F ZINC000086081059 179227315 /nfs/dbraw/zinc/22/73/15/179227315.db2.gz XTHVHANXEBSXOE-OZVIIMIRSA-N 0 0 289.350 2.334 10 30 CEEERN C[C@@H]1CC[C@H](NC(=O)c2cc(F)ccc2C#CCO)[C@@H]1C 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/nfs/dbraw/zinc/50/96/81/134509681.db2.gz NEUPASQYILDAOW-ZDUSSCGKSA-N 0 0 279.343 2.413 10 30 CEEERN N#Cc1ccccc1N1C(=O)Cc2ccccc2C1=O ZINC000034937995 134786131 /nfs/dbraw/zinc/78/61/31/134786131.db2.gz HIPVFXVDOCNVFY-UHFFFAOYSA-N 0 0 262.268 2.288 10 30 CEEERN CS[C@@H](CO)[C@@H](C)Nc1cc(C)nc(C)c1C#N ZINC000219764433 394460774 /nfs/dbraw/zinc/46/07/74/394460774.db2.gz FZNIREZYTZHWLU-MFKMUULPSA-N 0 0 265.382 2.094 10 30 CEEERN CCCCCCCCS(=O)(=O)c1nsc(N)n1 ZINC000059568763 394566422 /nfs/dbraw/zinc/56/64/22/394566422.db2.gz CQRVTDOHLUUTDG-UHFFFAOYSA-N 0 0 277.415 2.255 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000061890799 394568867 /nfs/dbraw/zinc/56/88/67/394568867.db2.gz VHEVISAVAXSIIO-APPZFPTMSA-N 0 0 282.141 2.199 10 30 CEEERN CC(C)(C)[C@@H](O)CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000324550113 394549851 /nfs/dbraw/zinc/54/98/51/394549851.db2.gz VOXNPLDAEDHPMI-NSHDSACASA-N 0 0 263.297 2.285 10 30 CEEERN COc1cccc(CCC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000359678588 394771623 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CCOC(=O)Cc1cc(OC(F)F)cc(F)c1C#N ZINC000575385980 395663005 /nfs/dbraw/zinc/66/30/05/395663005.db2.gz RMAZANIGNRIYCI-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)Cc1ccc(OC(F)F)c(C#N)c1C=O ZINC000575385777 395663027 /nfs/dbraw/zinc/66/30/27/395663027.db2.gz KRXDULCRCZUNFW-UHFFFAOYSA-N 0 0 283.230 2.078 10 30 CEEERN CCOC(=O)c1cc(C#N)c(CO)cc1C(F)F ZINC000575387427 395663133 /nfs/dbraw/zinc/66/31/33/395663133.db2.gz FGKRFTRVGXREBQ-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)c1c(C#N)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575387555 395663217 /nfs/dbraw/zinc/66/32/17/395663217.db2.gz HNVWZTAUCQBHNJ-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)Cc1ccc(C#N)c(C(F)F)c1C=O ZINC000575387741 395663427 /nfs/dbraw/zinc/66/34/27/395663427.db2.gz NHCYTZDIAZHPOW-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)c1cc(C=O)c(C#N)cc1C(F)F ZINC000575389988 395664048 /nfs/dbraw/zinc/66/40/48/395664048.db2.gz YQYDLUSNXACZON-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN 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/nfs/dbraw/zinc/12/74/42/173127442.db2.gz DILQEPNISYWPDY-SECBINFHSA-N 0 0 270.279 2.391 10 30 CEEERN CC(=O)CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000037790705 173722056 /nfs/dbraw/zinc/72/20/56/173722056.db2.gz VVIXXZXFQZGGFU-UHFFFAOYSA-N 0 0 260.293 2.287 10 30 CEEERN CN(C)c1ccc([C@@H](C#N)NCC(F)(F)F)cc1 ZINC000037970983 173921369 /nfs/dbraw/zinc/92/13/69/173921369.db2.gz WRKIKYFAFAYSBK-LLVKDONJSA-N 0 0 257.259 2.469 10 30 CEEERN COc1ccc(N)cc1CNC(=O)c1cccc(C#N)c1 ZINC000038033357 174030763 /nfs/dbraw/zinc/03/07/63/174030763.db2.gz VNRLKXFZMHNQEK-UHFFFAOYSA-N 0 0 281.315 2.079 10 30 CEEERN C=C[C@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCCCO ZINC000038602276 174149122 /nfs/dbraw/zinc/14/91/22/174149122.db2.gz MLGPZCOVWKAPPH-GWDHWDEHSA-N 0 0 290.403 2.180 10 30 CEEERN COC[C@@H](C#N)Cc1cc(OC)c(OC)c(OC)c1 ZINC000038612112 174149926 /nfs/dbraw/zinc/14/99/26/174149926.db2.gz GKCVBTJCNBAQFH-LLVKDONJSA-N 0 0 265.309 2.041 10 30 CEEERN CCCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000041257175 174511761 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/nfs/dbraw/zinc/79/06/85/174790685.db2.gz ODJYTSDWVWIOCE-UHFFFAOYSA-N 0 0 269.304 2.106 10 30 CEEERN COCCN(c1ccc(N)cc1C#N)[C@H](C)C1CC1 ZINC000042614696 174827414 /nfs/dbraw/zinc/82/74/14/174827414.db2.gz MUTSKYZHTDMFRN-LLVKDONJSA-N 0 0 259.353 2.392 10 30 CEEERN CCCCCCCCCCS(=O)(=O)CCC(N)=O ZINC000043352201 175020285 /nfs/dbraw/zinc/02/02/85/175020285.db2.gz UXTVHQNLIVCFKI-UHFFFAOYSA-N 0 0 277.430 2.417 10 30 CEEERN OCC#Cc1csc(COCC(F)(F)F)c1 ZINC000043698958 175096795 /nfs/dbraw/zinc/09/67/95/175096795.db2.gz DIZDTCVTWDGTDM-UHFFFAOYSA-N 0 0 250.241 2.171 10 30 CEEERN CC[C@@H]1CO[C@@H](C)CN1C(=O)C1(C#N)CCCCC1 ZINC000044766229 175249219 /nfs/dbraw/zinc/24/92/19/175249219.db2.gz PPNNCQUXNRKSBN-QWHCGFSZSA-N 0 0 264.369 2.486 10 30 CEEERN CC[C@H]1CO[C@@H](C)CN1C(=O)C(C#N)(CC)CC ZINC000044766242 175249302 /nfs/dbraw/zinc/24/93/02/175249302.db2.gz PVWCZFWDOXXXJV-RYUDHWBXSA-N 0 0 252.358 2.342 10 30 CEEERN C[C@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1F ZINC000044766684 175249397 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175324174 /nfs/dbraw/zinc/32/41/74/175324174.db2.gz AYWKNDBWEMZIGM-MRXNPFEDSA-N 0 0 257.381 2.498 10 30 CEEERN CCC(CC)N(CCOC)C[C@](C)(C#N)NC(C)C ZINC000045177828 175324404 /nfs/dbraw/zinc/32/44/04/175324404.db2.gz KGRVJDOSFKZXIZ-HNNXBMFYSA-N 0 0 269.433 2.404 10 30 CEEERN N#C[C@@](Cn1ccnc1)(NC1CC1)c1ccccc1 ZINC000045183634 175326018 /nfs/dbraw/zinc/32/60/18/175326018.db2.gz BDNXRFUKONANBP-HNNXBMFYSA-N 0 0 252.321 2.054 10 30 CEEERN CN[C@@](C#N)(Cn1nc(C)cc1C)c1ccccc1 ZINC000045183748 175326177 /nfs/dbraw/zinc/32/61/77/175326177.db2.gz XQJFBRPMTLVRCL-HNNXBMFYSA-N 0 0 254.337 2.138 10 30 CEEERN CC(C)N[C@@](C#N)(Cn1cccn1)c1ccccc1 ZINC000045206891 175328298 /nfs/dbraw/zinc/32/82/98/175328298.db2.gz RIIZEJCYRJEHPS-HNNXBMFYSA-N 0 0 254.337 2.300 10 30 CEEERN CCN[C@](C)(C#N)COc1cc(C)ccc1[N+](=O)[O-] ZINC000045214362 175329241 /nfs/dbraw/zinc/32/92/41/175329241.db2.gz GADILENALHONEL-CYBMUJFWSA-N 0 0 263.297 2.174 10 30 CEEERN CCCN[C@@](C)(C#N)COc1ccc(OC)cc1[N+](=O)[O-] ZINC000045214545 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/nfs/dbraw/zinc/09/73/59/176097359.db2.gz CSMWGXGKRXBHDA-JTQLQIEISA-N 0 0 264.300 2.240 10 30 CEEERN C[C@@H](Cc1cccs1)NC(=O)c1ccc(C#CCO)cc1 ZINC000071273508 176105849 /nfs/dbraw/zinc/10/58/49/176105849.db2.gz BMDGFQUXPPTUKN-ZDUSSCGKSA-N 0 0 299.395 2.453 10 30 CEEERN O=C1CCCCCN1Cc1cc(C#CCO)ccc1F ZINC000071278300 176107668 /nfs/dbraw/zinc/10/76/68/176107668.db2.gz GBLBLHCAYJWRBD-UHFFFAOYSA-N 0 0 275.323 2.072 10 30 CEEERN Cc1occc1C(=O)NCc1cc(C#CCCO)cs1 ZINC000071322024 176122440 /nfs/dbraw/zinc/12/24/40/176122440.db2.gz PTXPVXACXNOOSS-UHFFFAOYSA-N 0 0 289.356 2.313 10 30 CEEERN O=C(NCc1cc(C#CCCO)cs1)c1ccccc1 ZINC000071321987 176122445 /nfs/dbraw/zinc/12/24/45/176122445.db2.gz OIEHYBVMRBIIJJ-UHFFFAOYSA-N 0 0 285.368 2.412 10 30 CEEERN O=C(NCc1ccc(C#CCO)s1)c1ccsc1 ZINC000071322516 176122709 /nfs/dbraw/zinc/12/27/09/176122709.db2.gz XGIVOJFPCJLRBA-UHFFFAOYSA-N 0 0 277.370 2.083 10 30 CEEERN CC(C)[C@H](C)C(=O)NCc1ccc(C#CCO)s1 ZINC000071322443 176123111 /nfs/dbraw/zinc/12/31/11/176123111.db2.gz DKCJTUIMKQBAMV-NSHDSACASA-N 0 0 265.378 2.000 10 30 CEEERN Cc1nn(-c2nc3ccccc3cc2C#N)c(C)c1N ZINC000071386263 176147636 /nfs/dbraw/zinc/14/76/36/176147636.db2.gz ARDYTVYBYMYFKJ-UHFFFAOYSA-N 0 0 263.304 2.491 10 30 CEEERN C=CCS(=O)(=O)CC(=O)Nc1cccc2ccccc21 ZINC000071530467 176194842 /nfs/dbraw/zinc/19/48/42/176194842.db2.gz YHKGXBGZGQKOBZ-UHFFFAOYSA-N 0 0 289.356 2.379 10 30 CEEERN C=CCS(=O)(=O)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000071530947 176195140 /nfs/dbraw/zinc/19/51/40/176195140.db2.gz YEVAXQAVXVNQOU-SNVBAGLBSA-N 0 0 299.417 2.336 10 30 CEEERN C=CCN(C[C@@H](C)C(=O)OC)C(=O)c1ccccc1F ZINC000071608030 176230793 /nfs/dbraw/zinc/23/07/93/176230793.db2.gz JUSIDXXLXXIUBL-LLVKDONJSA-N 0 0 279.311 2.263 10 30 CEEERN N#CC1c2cc(F)ccc2C(=O)N1C[C@@H]1CCCO1 ZINC000071678369 176242930 /nfs/dbraw/zinc/24/29/30/176242930.db2.gz AVVABSZIEQUGCR-GXFFZTMASA-N 0 0 260.268 2.025 10 30 CEEERN COCCN1C(=O)c2c(ccc(Cl)c2C)[C@H]1C#N ZINC000071679702 176244036 /nfs/dbraw/zinc/24/40/36/176244036.db2.gz GDVPHZSOBRKBDX-LLVKDONJSA-N 0 0 264.712 2.315 10 30 CEEERN CCOc1ccc2c(ccn2CC(=O)N(C)CCC#N)c1 ZINC000075232569 176676314 /nfs/dbraw/zinc/67/63/14/176676314.db2.gz CQGJBSFSIOGUEM-UHFFFAOYSA-N 0 0 285.347 2.412 10 30 CEEERN N#C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccccc1 ZINC000078637598 177362913 /nfs/dbraw/zinc/36/29/13/177362913.db2.gz AVIIDPLLCWGEEI-KBPBESRZSA-N 0 0 258.321 2.327 10 30 CEEERN N#CCCCCNC(=O)c1ccc(N)c(Cl)c1 ZINC000079866689 177572545 /nfs/dbraw/zinc/57/25/45/177572545.db2.gz SORQXPYCZGKEPJ-UHFFFAOYSA-N 0 0 251.717 2.346 10 30 CEEERN C[C@H](CS(C)(=O)=O)Nc1cc(Cl)ccc1C#N ZINC000080119536 177613258 /nfs/dbraw/zinc/61/32/58/177613258.db2.gz SMYOWGHJCIKLCZ-MRVPVSSYSA-N 0 0 272.757 2.057 10 30 CEEERN Cc1nn(C)c(N)c1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329117920 227307714 /nfs/dbraw/zinc/30/77/14/227307714.db2.gz UUDJWIUGNISHIX-UHFFFAOYSA-N 0 0 285.351 2.221 10 30 CEEERN Cn1cncc1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000329678074 227838472 /nfs/dbraw/zinc/83/84/72/227838472.db2.gz QEHHMNRXIMJKMZ-NEPJUHHUSA-N 0 0 273.340 2.105 10 30 CEEERN COC(=O)C1CCC(C(=O)N(CCC#N)CC2CC2)CC1 ZINC000179494160 260051972 /nfs/dbraw/zinc/05/19/72/260051972.db2.gz RPANQLFHYWCRAT-UHFFFAOYSA-N 0 0 292.379 2.118 10 30 CEEERN CCc1csc([C@@H]2CCCN(C(=O)CC#N)C2)n1 ZINC000153820596 261083331 /nfs/dbraw/zinc/08/33/31/261083331.db2.gz YOCKSHVDUOUASJ-SNVBAGLBSA-N 0 0 263.366 2.325 10 30 CEEERN N#CCC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000153917880 261085175 /nfs/dbraw/zinc/08/51/75/261085175.db2.gz GIFAUHMDOZNYFE-KBPBESRZSA-N 0 0 258.321 2.015 10 30 CEEERN CC[C@H](C#N)NS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000160878861 261229254 /nfs/dbraw/zinc/22/92/54/261229254.db2.gz DRBNTFFZPMTWLV-SNVBAGLBSA-N 0 0 270.329 2.023 10 30 CEEERN Cc1nc(CN(C)C(=O)N[C@@H]2CCO[C@H]2C2CC2)cs1 ZINC000328857493 263881347 /nfs/dbraw/zinc/88/13/47/263881347.db2.gz XXCNCRKLBINJRC-OLZOCXBDSA-N 0 0 295.408 2.365 10 30 CEEERN C=C[C@](C)(CC)C(=O)N1CCC[C@H](NC(=O)CCC)C1 ZINC000135004420 264545408 /nfs/dbraw/zinc/54/54/08/264545408.db2.gz NYFKIMRPABTTLP-XJKSGUPXSA-N 0 0 280.412 2.496 10 30 CEEERN C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2C[C@H]2CCOC2)C1 ZINC000328624926 265167025 /nfs/dbraw/zinc/16/70/25/265167025.db2.gz ZWJWYFLPYOIROC-UPJWGTAASA-N 0 0 292.383 2.434 10 30 CEEERN N#CC1(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CCOCC1 ZINC000121075255 267550861 /nfs/dbraw/zinc/55/08/61/267550861.db2.gz DGZKFFBAZRPWPM-KBPBESRZSA-N 0 0 276.380 2.392 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)N1[C@H](C)COC[C@@H]1C ZINC000124997327 301074457 /nfs/dbraw/zinc/07/44/57/301074457.db2.gz GXOJEANCHMXOBH-TXEJJXNPSA-N 0 0 258.321 2.116 10 30 CEEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1Cl ZINC000061889691 303167590 /nfs/dbraw/zinc/16/75/90/303167590.db2.gz DUIZJQZDHQMQHU-MWLCHTKSSA-N 0 0 284.768 2.311 10 30 CEEERN N#Cc1cc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)ccn1 ZINC000343275024 303185275 /nfs/dbraw/zinc/18/52/75/303185275.db2.gz IZSGFWBXNGYAHC-CVEARBPZSA-N 0 0 283.306 2.405 10 30 CEEERN NC(=O)c1ccc(/N=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100489280 303341808 /nfs/dbraw/zinc/34/18/08/303341808.db2.gz XIJAAHWQLABNTE-SXGWCWSVSA-N 0 0 269.260 2.444 10 30 CEEERN N#Cc1ccc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1F ZINC000189957453 321779776 /nfs/dbraw/zinc/77/97/76/321779776.db2.gz YXTAJSBMODNUGT-STQMWFEESA-N 0 0 284.290 2.149 10 30 CEEERN CC(C)(C#N)C(=O)N1CCC(c2nccs2)CC1 ZINC000334358875 328424900 /nfs/dbraw/zinc/42/49/00/328424900.db2.gz UPQNYWMCMGBMFQ-UHFFFAOYSA-N 0 0 263.366 2.399 10 30 CEEERN COc1cccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1F ZINC000335934026 327531889 /nfs/dbraw/zinc/53/18/89/327531889.db2.gz KFSHBDJDHHJQIG-KOLCDFICSA-N 0 0 262.284 2.256 10 30 CEEERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCCCC#N ZINC000176133197 329174063 /nfs/dbraw/zinc/17/40/63/329174063.db2.gz QIXRXTDWHWCVDD-CQSZACIVSA-N 0 0 289.383 2.059 10 30 CEEERN C[C@@H](C#N)NC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000181860039 329237887 /nfs/dbraw/zinc/23/78/87/329237887.db2.gz JNVVHQBTMRWLLP-XHDPSFHLSA-N 0 0 295.383 2.194 10 30 CEEERN C=CC[C@@H](C(=O)N1CCCNC(=O)[C@H]1C)c1ccccc1 ZINC000189238722 329377319 /nfs/dbraw/zinc/37/73/19/329377319.db2.gz BPDPKYUCSITTJS-UKRRQHHQSA-N 0 0 286.375 2.083 10 30 CEEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000133756593 329655149 /nfs/dbraw/zinc/65/51/49/329655149.db2.gz XQGLFEWDKHODRY-SMDDNHRTSA-N 0 0 288.347 2.108 10 30 CEEERN Cc1ccc(N2CCC[C@@H](C(=O)CC#N)C2=O)cc1F ZINC000536950099 330382141 /nfs/dbraw/zinc/38/21/41/330382141.db2.gz FLNWCNJXMUPGAK-LBPRGKRZSA-N 0 0 274.295 2.360 10 30 CEEERN COC(=O)[C@H](N[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000250366555 333304696 /nfs/dbraw/zinc/30/46/96/333304696.db2.gz KLFCZDYMQRJDJH-MELADBBJSA-N 0 0 258.321 2.183 10 30 CEEERN C=CCCC[C@H](C)NC(=O)NCCn1cc(C)cn1 ZINC000180810097 335625075 /nfs/dbraw/zinc/62/50/75/335625075.db2.gz NETWGVCPWPCKQR-ZDUSSCGKSA-N 0 0 264.373 2.236 10 30 CEEERN CC(C)N[C@](C#N)(COc1ccc(CO)cc1)C1CC1 ZINC000069088590 519739201 /nfs/dbraw/zinc/73/92/01/519739201.db2.gz YISPVJIESFAVOA-MRXNPFEDSA-N 0 0 274.364 2.228 10 30 CEEERN CCN[C@](C#N)(COc1cccc(OC)c1)C1CC1 ZINC000069087018 520224466 /nfs/dbraw/zinc/22/44/66/520224466.db2.gz BRVLUDNMGYFYQY-OAHLLOKOSA-N 0 0 260.337 2.356 10 30 CEEERN C[C@@H]1N(C(=O)NCCC2CCOCC2)CCOC1(C)C ZINC000330096376 534088987 /nfs/dbraw/zinc/08/89/87/534088987.db2.gz XGCPYIMEKXVAIS-LBPRGKRZSA-N 0 0 284.400 2.216 10 30 CEEERN C#CCCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000070246695 518251307 /nfs/dbraw/zinc/25/13/07/518251307.db2.gz UARKGCQNRXNHQW-UHFFFAOYSA-N 0 0 294.763 2.190 10 30 CEEERN CC(C)(C#N)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000070138562 518506579 /nfs/dbraw/zinc/50/65/79/518506579.db2.gz YPNBTGCAFVKZOM-UHFFFAOYSA-N 0 0 272.352 2.138 10 30 CEEERN CC(C)(C)CC(=O)NCc1cccc(C#CCCO)c1 ZINC000049589358 518622452 /nfs/dbraw/zinc/62/24/52/518622452.db2.gz XYHZEKYUWBXRDG-UHFFFAOYSA-N 0 0 273.376 2.473 10 30 CEEERN C=C(C)[C@H](O)[C@H](OC)c1cc2ccc(=O)oc2cc1OC ZINC000049181928 518644570 /nfs/dbraw/zinc/64/45/70/518644570.db2.gz BTALCBGUQDIQDM-JKSUJKDBSA-N 0 0 290.315 2.426 10 30 CEEERN C=CCN[C@@H](C(=O)OCC)c1cc(F)c(F)c(F)c1 ZINC000062718884 518958986 /nfs/dbraw/zinc/95/89/86/518958986.db2.gz RWKJSLIGTXSZKB-GFCCVEGCSA-N 0 0 273.254 2.484 10 30 CEEERN C=CCN[C@](CC)(C(=O)OCC)c1ccc(O)cc1 ZINC000051962336 518961376 /nfs/dbraw/zinc/96/13/76/518961376.db2.gz GHAASVVHQWARNQ-HNNXBMFYSA-N 0 0 263.337 2.336 10 30 CEEERN CC(C)N[C@@](C)(C#N)CSc1nnc2ccccn21 ZINC000061407948 519735766 /nfs/dbraw/zinc/73/57/66/519735766.db2.gz NLOWMEWUQHBARU-ZDUSSCGKSA-N 0 0 275.381 2.102 10 30 CEEERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000048497168 519791472 /nfs/dbraw/zinc/79/14/72/519791472.db2.gz IJOZUZIXVIDABY-SECBINFHSA-N 0 0 293.754 2.311 10 30 CEEERN CC(C)c1ncc(N)c(C(=O)Nc2ccccc2C#N)n1 ZINC000050698853 519876295 /nfs/dbraw/zinc/87/62/95/519876295.db2.gz KZEWMNVTFISBOK-UHFFFAOYSA-N 0 0 281.319 2.306 10 30 CEEERN CC(C)n1ccnc(NCc2cccc(C#N)c2)c1=O ZINC000061763578 520021507 /nfs/dbraw/zinc/02/15/07/520021507.db2.gz XXDVHMCCVXOEEA-UHFFFAOYSA-N 0 0 268.320 2.308 10 30 CEEERN CCCN[C@@](C#N)(CN(CC)[C@@H](C)COC)C1CC1 ZINC000069079345 520028205 /nfs/dbraw/zinc/02/82/05/520028205.db2.gz LHCJXUITFGDOOS-ZFWWWQNUSA-N 0 0 267.417 2.015 10 30 CEEERN CCCN[C@H](C#N)CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000062450710 520059109 /nfs/dbraw/zinc/05/91/09/520059109.db2.gz LCHZSGDWYIKBHN-NSHDSACASA-N 0 0 281.287 2.395 10 30 CEEERN CCCN[C@](C#N)(CN(CCOC)CC(C)C)C1CC1 ZINC000069079531 520100628 /nfs/dbraw/zinc/10/06/28/520100628.db2.gz YFCUNWMFYMWQBS-MRXNPFEDSA-N 0 0 281.444 2.263 10 30 CEEERN CCN(C(=O)c1cncc(C#CCO)c1)C1CCCCC1 ZINC000049628315 520118088 /nfs/dbraw/zinc/11/80/88/520118088.db2.gz OUZDNFHUMOTHOD-UHFFFAOYSA-N 0 0 286.375 2.220 10 30 CEEERN CCN[C@](C)(C#N)CCN(C)c1cccc(OC)c1 ZINC000049971430 520224955 /nfs/dbraw/zinc/22/49/55/520224955.db2.gz DHCPBTOCYROZBK-HNNXBMFYSA-N 0 0 261.369 2.413 10 30 CEEERN CCCOCCC(=O)Nc1ccc(C#CCCO)c(C)c1 ZINC000054435531 520252852 /nfs/dbraw/zinc/25/28/52/520252852.db2.gz KKEIVBXMPLUVEK-UHFFFAOYSA-N 0 0 289.375 2.484 10 30 CEEERN 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CCCc1[nH]nc(C(=O)Nc2cc(C#N)ccc2C)c1N ZINC000050428750 521329282 /nfs/dbraw/zinc/32/92/82/521329282.db2.gz HHTLLHJZMQKGHJ-UHFFFAOYSA-N 0 0 283.335 2.377 10 30 CEEERN CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1N ZINC000048786202 521334433 /nfs/dbraw/zinc/33/44/33/521334433.db2.gz OGRCCLCLKQYCIW-SNVBAGLBSA-N 0 0 275.352 2.213 10 30 CEEERN CC[C@H](C)[C@H](C)NC(=O)c1ccc(OC)c(C#CCO)c1 ZINC000049105483 521934416 /nfs/dbraw/zinc/93/44/16/521934416.db2.gz VYHSRKDJNUAEPV-STQMWFEESA-N 0 0 289.375 2.203 10 30 CEEERN COc1cc(C#N)ccc1Oc1cc(N)ccc1C(N)=O ZINC000070235258 522046803 /nfs/dbraw/zinc/04/68/03/522046803.db2.gz BTCNQPSYVFTNOQ-UHFFFAOYSA-N 0 0 283.287 2.040 10 30 CEEERN CN[C@@](C)(C#N)CCSc1nc(C)cc(C)n1 ZINC000051608243 522407045 /nfs/dbraw/zinc/40/70/45/522407045.db2.gz LUGUUHCLPWVEFM-GFCCVEGCSA-N 0 0 250.371 2.077 10 30 CEEERN CN[C@](C)(C#N)CSc1nc2cc(C)ccc2[nH]1 ZINC000061440792 522511519 /nfs/dbraw/zinc/51/15/19/522511519.db2.gz NWYOHECVFMVCDQ-CYBMUJFWSA-N 0 0 260.366 2.465 10 30 CEEERN CN(Cc1ccc(C#CCCO)cc1)CC(F)(F)F ZINC000049613432 523203262 /nfs/dbraw/zinc/20/32/62/523203262.db2.gz DDVRKLTVOLQPDS-UHFFFAOYSA-N 0 0 271.282 2.415 10 30 CEEERN COc1ccc(C=O)c(OCc2cccnc2C#N)c1 ZINC000061659206 523884940 /nfs/dbraw/zinc/88/49/40/523884940.db2.gz PQIZMXYJFYVOCM-UHFFFAOYSA-N 0 0 268.272 2.353 10 30 CEEERN COc1ccc(N(C)CC2(C=O)CCOCC2)cc1 ZINC000052180216 524351140 /nfs/dbraw/zinc/35/11/40/524351140.db2.gz JTSJHSZWADQMLD-UHFFFAOYSA-N 0 0 263.337 2.127 10 30 CEEERN C[C@H]1CCc2ccccc2N1C[C@@](N)(C#N)C1CC1 ZINC000069075424 524442025 /nfs/dbraw/zinc/44/20/25/524442025.db2.gz DGYXFZVMJNATCV-LRDDRELGSA-N 0 0 255.365 2.459 10 30 CEEERN C[C@@H]1CCN(C(=O)c2ccc(F)cc2C#CCO)[C@H](C)C1 ZINC000051750961 524485833 /nfs/dbraw/zinc/48/58/33/524485833.db2.gz RZMQIOCYNRFJBQ-CHWSQXEVSA-N 0 0 289.350 2.430 10 30 CEEERN C[C@@H]1CN(Cc2ccc(C#CCCO)cc2)C[C@@H](C)O1 ZINC000049615876 524991964 /nfs/dbraw/zinc/99/19/64/524991964.db2.gz QLGQVBNXOILGAU-HUUCEWRRSA-N 0 0 273.376 2.030 10 30 CEEERN 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N#Cc1cccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000050499265 526701857 /nfs/dbraw/zinc/70/18/57/526701857.db2.gz BDRHHNWDVVIROX-ZIAGYGMSSA-N 0 0 268.316 2.233 10 30 CEEERN N#Cc1cccc(CNc2ccc(N)c3nonc32)c1 ZINC000051667489 526710662 /nfs/dbraw/zinc/71/06/62/526710662.db2.gz OKMVLYCCSPWGCH-UHFFFAOYSA-N 0 0 265.276 2.289 10 30 CEEERN O=C(NCc1ccccc1C#CCO)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000049587953 526743091 /nfs/dbraw/zinc/74/30/91/526743091.db2.gz ULQAESOVIALDLR-YSVLISHTSA-N 0 0 283.371 2.083 10 30 CEEERN N/C(=N/O)c1ccccc1N1Cc2ccccc2C1 ZINC000050911378 526803632 /nfs/dbraw/zinc/80/36/32/526803632.db2.gz WAHRIBDLKDRMFW-UHFFFAOYSA-N 0 0 253.305 2.301 10 30 CEEERN C=CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000302175877 526820333 /nfs/dbraw/zinc/82/03/33/526820333.db2.gz QVDNDIRDWBYHOI-LLVKDONJSA-N 0 0 263.297 2.080 10 30 CEEERN O=C1CCCCCN1Cc1ccc(F)c(C#CCCO)c1 ZINC000049618772 526971105 /nfs/dbraw/zinc/97/11/05/526971105.db2.gz IUSSZYBQDJQPOZ-UHFFFAOYSA-N 0 0 289.350 2.462 10 30 CEEERN CON=Cc1ccc(C(=O)O[C@H](C)[C@H]2CCOC2)cc1 ZINC000255084266 623081761 /nfs/dbraw/zinc/08/17/61/623081761.db2.gz OWDKQADQVKJMQJ-RISCZKNCSA-N 0 0 277.320 2.249 10 30 CEEERN C[C@H](C/N=C\c1cc(Cl)ccc1O)N1CCOCC1 ZINC000255345984 623672143 /nfs/dbraw/zinc/67/21/43/623672143.db2.gz ZUXGJBTUZVXWEC-FFCYNSPCSA-N 0 0 282.771 2.185 10 30 CEEERN C#CCCCCNS(=O)(=O)/C=C\c1ccccc1 ZINC000255412279 624122787 /nfs/dbraw/zinc/12/27/87/624122787.db2.gz FIWMGPIWIHLHCK-QBFSEMIESA-N 0 0 263.362 2.380 10 30 CEEERN C[C@H](C#N)NC(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161994884 625030306 /nfs/dbraw/zinc/03/03/06/625030306.db2.gz UMAWYVJJZYAPHA-WOPDTQHZSA-N 0 0 295.383 2.098 10 30 CEEERN CCOc1cc(C#N)ccc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000121476943 638754251 /nfs/dbraw/zinc/75/42/51/638754251.db2.gz OHUKXQHNMMJORA-GWCFXTLKSA-N 0 0 275.304 2.430 10 30 CEEERN C#CCCCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000156494853 639358304 /nfs/dbraw/zinc/35/83/04/639358304.db2.gz UGUSPOGSUSGJBE-CYBMUJFWSA-N 0 0 287.363 2.116 10 30 CEEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1C#N ZINC000087824239 639760272 /nfs/dbraw/zinc/76/02/72/639760272.db2.gz YBTAYDSUTSCHIA-JSGCOSHPSA-N 0 0 255.321 2.349 10 30 CEEERN C#Cc1cccc(N(C)C(=O)[C@H](C)NC(=O)c2ccco2)c1 ZINC000103102843 643955189 /nfs/dbraw/zinc/95/51/89/643955189.db2.gz MUTFHHDITTUWIK-LBPRGKRZSA-N 0 0 296.326 2.042 10 30 CEEERN N#Cc1c[nH]nc1NC[C@]1(c2ccccc2)CCOC1 ZINC000885748319 653046319 /nfs/dbraw/zinc/04/63/19/653046319.db2.gz RURHKCBXIKHANQ-OAHLLOKOSA-N 0 0 268.320 2.052 10 30 CEEERN CC(C)(C)OC(=O)NCCc1cc(C#N)cc(C=O)c1 ZINC000095764832 185027329 /nfs/dbraw/zinc/02/73/29/185027329.db2.gz KREUVUHKOOSIBC-UHFFFAOYSA-N 0 0 274.320 2.438 10 30 CEEERN C[C@H](C(=O)NO)C(=O)N(c1ccccc1)c1ccccc1 ZINC000033853698 361785054 /nfs/dbraw/zinc/78/50/54/361785054.db2.gz YIFMYXKOKNJLOU-GFCCVEGCSA-N 0 0 284.315 2.493 10 30 CEEERN CC(C)(C)[S@@](=O)/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000034396041 361788398 /nfs/dbraw/zinc/78/83/98/361788398.db2.gz XNQNNFJWRGXIFE-UEICXMAYSA-N 0 0 254.311 2.476 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/nfs/dbraw/zinc/26/85/50/366268550.db2.gz HGLLOZLULAULJF-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)c1c(O)ccc(C(F)(F)F)c1C#N ZINC000575391557 366268659 /nfs/dbraw/zinc/26/86/59/366268659.db2.gz AEIFHVWJCIJTOO-UHFFFAOYSA-N 0 0 259.183 2.459 10 30 CEEERN CCOC(=O)Cc1cc(C#N)cc(C=O)c1C(F)(F)F ZINC000575391371 366268724 /nfs/dbraw/zinc/26/87/24/366268724.db2.gz KPVUYCCAMLKVHV-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1O ZINC000575392015 366271573 /nfs/dbraw/zinc/27/15/73/366271573.db2.gz LIGCNVBMBZYWFY-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN CCOC(=O)Cc1cc(C(F)(F)F)cc(O)c1C#N ZINC000575392335 366271817 /nfs/dbraw/zinc/27/18/17/366271817.db2.gz TXDYCCJXRFRLNB-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN COC(=O)Cc1cc(OC)c(C#N)cc1C(F)(F)F ZINC000575394818 366273507 /nfs/dbraw/zinc/27/35/07/366273507.db2.gz OROAPJXYUJWAPG-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1ccc(OC(F)(F)F)c(C)c1C#N ZINC000575394681 366274072 /nfs/dbraw/zinc/27/40/72/366274072.db2.gz KHLAOYQPGJNLOC-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN COC(=O)Cc1cc(C(F)(F)F)cc(OC)c1C#N ZINC000575394933 366274747 /nfs/dbraw/zinc/27/47/47/366274747.db2.gz UQLFONDSGFKOKS-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575395550 366275937 /nfs/dbraw/zinc/27/59/37/366275937.db2.gz GRYSHAKEGNCOPV-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN COC(=O)c1cc(C#N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575395494 366275991 /nfs/dbraw/zinc/27/59/91/366275991.db2.gz GFXQJDISCVKGJO-UHFFFAOYSA-N 0 0 274.154 2.272 10 30 CEEERN COC(=O)c1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C#N ZINC000575395445 366276008 /nfs/dbraw/zinc/27/60/08/366276008.db2.gz CYNRJFYNKORDHP-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN COC(=O)c1cc(C#N)cc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575395861 366276166 /nfs/dbraw/zinc/27/61/66/366276166.db2.gz SUVYGTCZXUNXLA-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN CC(C)(C)OC(=O)N1CC[C@](N)(C#N)CC1(C)C ZINC000575512410 366292581 /nfs/dbraw/zinc/29/25/81/366292581.db2.gz ODLCOMOWNZNIKJ-CYBMUJFWSA-N 0 0 253.346 2.017 10 30 CEEERN N#CCc1cc(N)c(I)c(F)c1 ZINC000575718815 366344041 /nfs/dbraw/zinc/34/40/41/366344041.db2.gz QNDBASVXGKJKAC-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN N#CCc1cc(N)c(I)cc1F ZINC000575718199 366344409 /nfs/dbraw/zinc/34/44/09/366344409.db2.gz FXHNZAVOZCIQFI-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN N#CCc1c(N)cc(F)cc1I ZINC000575718984 366344548 /nfs/dbraw/zinc/34/45/48/366344548.db2.gz SJTKENVEQRGMLS-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN C#CCC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C ZINC000685962128 540663394 /nfs/dbraw/zinc/66/33/94/540663394.db2.gz VIZPNXLWUKOATP-NSHDSACASA-N 0 0 251.326 2.272 10 30 CEEERN C[C@@H](C#N)[S@@](=O)c1ccc(N)cc1Br ZINC000148308204 366581230 /nfs/dbraw/zinc/58/12/30/366581230.db2.gz LGPJBNBPRACADQ-MDAAJZPYSA-N 0 0 273.155 2.051 10 30 CEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(C#N)c1 ZINC000081163076 363704802 /nfs/dbraw/zinc/70/48/02/363704802.db2.gz HXZQTDIOCXCOLZ-ZDUSSCGKSA-N 0 0 296.334 2.115 10 30 CEEERN CCOC(=O)C(C)=NNc1cc(C)ccc1OC ZINC000000165933 361139086 /nfs/dbraw/zinc/13/90/86/361139086.db2.gz FCPXRKPPKXOWGH-GXDHUFHOSA-N 0 0 250.298 2.355 10 30 CEEERN COc1ccc(Br)cc1C=Nc1nc[nH]n1 ZINC000000459566 361177327 /nfs/dbraw/zinc/17/73/27/361177327.db2.gz BSUIYTUPMPNGFR-LFYBBSHMSA-N 0 0 281.113 2.326 10 30 CEEERN CCN(C[C@H](C)C(=O)OC)c1cccc(F)c1C#N ZINC000301643429 201112206 /nfs/dbraw/zinc/11/22/06/201112206.db2.gz HDIXAODYCKRWPH-JTQLQIEISA-N 0 0 264.300 2.333 10 30 CEEERN Cc1cc(N(C)C[C@@H]2CCC[C@@H]2O)c(C#N)c(C)n1 ZINC000301820063 201216763 /nfs/dbraw/zinc/21/67/63/201216763.db2.gz GECFESHFXPDNFE-WFASDCNBSA-N 0 0 259.353 2.167 10 30 CEEERN N#Cc1ccc(NCc2ccnc(O[C@@H]3CCOC3)c2)cn1 ZINC000301876317 201243081 /nfs/dbraw/zinc/24/30/81/201243081.db2.gz IPUPUSCAJHZKEB-OAHLLOKOSA-N 0 0 296.330 2.128 10 30 CEEERN Cn1cc2c(c(C#N)c1=O)Nc1ccccc1S2 ZINC000027895330 361661057 /nfs/dbraw/zinc/66/10/57/361661057.db2.gz LHNBUEWYQBZWRS-UHFFFAOYSA-N 0 0 255.302 2.465 10 30 CEEERN COc1c(CN(CCC#N)CC(C)(C)C)c(C)nn1C ZINC000093101211 364141511 /nfs/dbraw/zinc/14/15/11/364141511.db2.gz DGYTXXGBJLNCKE-UHFFFAOYSA-N 0 0 278.400 2.499 10 30 CEEERN O=c1c(Br)cccn1CC1(CS)CC1 ZINC000157167262 366841122 /nfs/dbraw/zinc/84/11/22/366841122.db2.gz GVBSEWRUOQDJFN-UHFFFAOYSA-N 0 0 274.183 2.321 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)COC2 ZINC000111305876 364726424 /nfs/dbraw/zinc/72/64/24/364726424.db2.gz WBYNVXZXSDKYQT-RISCZKNCSA-N 0 0 256.305 2.139 10 30 CEEERN C=C(Br)CN1CCO[C@@H](c2nccs2)C1 ZINC000111691715 364753781 /nfs/dbraw/zinc/75/37/81/364753781.db2.gz RVAFCVJJDYQKAT-SECBINFHSA-N 0 0 289.198 2.425 10 30 CEEERN C#Cc1cccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116481068 365057592 /nfs/dbraw/zinc/05/75/92/365057592.db2.gz LZVXMQZEGKRWGY-CQSZACIVSA-N 0 0 294.358 2.423 10 30 CEEERN COc1cc(C#N)ccc1CN1[C@H](C)COC[C@@H]1C ZINC000121033783 365514626 /nfs/dbraw/zinc/51/46/26/365514626.db2.gz RFDXAWNFMDDVBE-TXEJJXNPSA-N 0 0 260.337 2.176 10 30 CEEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)nc1 ZINC000583614667 367073126 /nfs/dbraw/zinc/07/31/26/367073126.db2.gz AWYKKQDENKFTLI-FVQBIDKESA-N 0 0 299.374 2.109 10 30 CEEERN C=CCCCC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000175172428 368109223 /nfs/dbraw/zinc/10/92/23/368109223.db2.gz UGDGLBDYJKUEFD-CYBMUJFWSA-N 0 0 293.388 2.378 10 30 CEEERN C=CCCCC(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000175584341 368152952 /nfs/dbraw/zinc/15/29/52/368152952.db2.gz AQKINTOPUZMIMP-UHFFFAOYSA-N 0 0 288.395 2.260 10 30 CEEERN C#CCC(C)(C)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000185517948 368818987 /nfs/dbraw/zinc/81/89/87/368818987.db2.gz XOEJPPYCTXSQKT-NSHDSACASA-N 0 0 278.377 2.093 10 30 CEEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000185535351 368821026 /nfs/dbraw/zinc/82/10/26/368821026.db2.gz SKWFSODHNRUUOS-HUUCEWRRSA-N 0 0 291.395 2.021 10 30 CEEERN Cc1nn(C)cc1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000226227162 189769896 /nfs/dbraw/zinc/76/98/96/189769896.db2.gz FWYTVJDSBDCLPB-UHFFFAOYSA-N 0 0 257.253 2.252 10 30 CEEERN CCCCOC[C@@H](O)COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000193244415 369910014 /nfs/dbraw/zinc/91/00/14/369910014.db2.gz DLHYNJVWCXYVOG-GFCCVEGCSA-N 0 0 294.307 2.023 10 30 CEEERN C=CCCO[C@@H](C)C(=O)N[C@H]1COc2ccccc21 ZINC000194890592 370086576 /nfs/dbraw/zinc/08/65/76/370086576.db2.gz IMZSHMQRXYWJOC-AAEUAGOBSA-N 0 0 261.321 2.218 10 30 CEEERN COC(=O)CN1CCC(C#N)(Cc2ccccc2)CC1 ZINC000219251019 370220977 /nfs/dbraw/zinc/22/09/77/370220977.db2.gz ZNXCDBLAHIWJNM-UHFFFAOYSA-N 0 0 272.348 2.008 10 30 CEEERN CSC(C)(C)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235038887 370555632 /nfs/dbraw/zinc/55/56/32/370555632.db2.gz LMUIHKBRJCGMAD-UHFFFAOYSA-N 0 0 266.326 2.415 10 30 CEEERN Cc1nc(CNc2ccc([N+](=O)[O-])c(C#N)n2)oc1C ZINC000235947525 370581257 /nfs/dbraw/zinc/58/12/57/370581257.db2.gz IBLULNYGJBLPJA-UHFFFAOYSA-N 0 0 273.252 2.078 10 30 CEEERN N#Cc1nc(NC[C@@H]2CCCS2)ccc1[N+](=O)[O-] ZINC000236421631 370588612 /nfs/dbraw/zinc/58/86/12/370588612.db2.gz MSRSNYHTRJXWPC-QMMMGPOBSA-N 0 0 264.310 2.169 10 30 CEEERN COC(=O)c1sc(C(F)(F)F)c(C#N)c1N ZINC000257861745 371617231 /nfs/dbraw/zinc/61/72/31/371617231.db2.gz CMJPYGBBOWKNGG-UHFFFAOYSA-N 0 0 250.201 2.007 10 30 CEEERN C[C@@H](C#N)[C@H](O)c1cccc(I)c1 ZINC000306724596 376553569 /nfs/dbraw/zinc/55/35/69/376553569.db2.gz JAJXDCMQGBYLSN-XVKPBYJWSA-N 0 0 287.100 2.484 10 30 CEEERN C[C@@H]1COC[C@H](C)N1CCOc1ccccc1C#N ZINC000265913350 190216888 /nfs/dbraw/zinc/21/68/88/190216888.db2.gz YJCPIDGNVATGEI-BETUJISGSA-N 0 0 260.337 2.046 10 30 CEEERN C=CCO[C@H]1CCN(c2nnc(C(C)C)s2)C1 ZINC000302198616 379327744 /nfs/dbraw/zinc/32/77/44/379327744.db2.gz YKGAMPPVAZUNTG-JTQLQIEISA-N 0 0 253.371 2.443 10 30 CEEERN C#CCCC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000405454415 542269416 /nfs/dbraw/zinc/26/94/16/542269416.db2.gz PSRCVHNVSKLDSB-LLVKDONJSA-N 0 0 251.326 2.368 10 30 CEEERN C#CC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000405527549 542271244 /nfs/dbraw/zinc/27/12/44/542271244.db2.gz ZKVXCIBYQXGKFW-LLVKDONJSA-N 0 0 251.326 2.226 10 30 CEEERN C#CC(=O)[C@]1(C)CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405994165 542280322 /nfs/dbraw/zinc/28/03/22/542280322.db2.gz SIXDHFLETHQWAL-QMTHXVAHSA-N 0 0 251.326 2.272 10 30 CEEERN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000045032571 184563741 /nfs/dbraw/zinc/56/37/41/184563741.db2.gz WGKAJWVICBFKKG-MFKMUULPSA-N 0 0 259.309 2.247 10 30 CEEERN N#Cc1cc(Cl)ccc1NCCC(=O)NC1CC1 ZINC000092996523 184641052 /nfs/dbraw/zinc/64/10/52/184641052.db2.gz ZKBRRSUYOWWHBT-UHFFFAOYSA-N 0 0 263.728 2.292 10 30 CEEERN COc1cc(Cl)ccc1C(=O)Nc1n[nH]cc1C#N ZINC000093334691 184665816 /nfs/dbraw/zinc/66/58/16/184665816.db2.gz KHMPOYRUAYXHKU-UHFFFAOYSA-N 0 0 276.683 2.196 10 30 CEEERN C#CCCCC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000192139360 533008086 /nfs/dbraw/zinc/00/80/86/533008086.db2.gz RZPDRGQBPUWVDY-ZDUSSCGKSA-N 0 0 294.395 2.306 10 30 CEEERN C[C@@H]1C[C@@H](CNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000281252541 195169106 /nfs/dbraw/zinc/16/91/06/195169106.db2.gz LPZXAEURHKEUFW-DABQJJPHSA-N 0 0 272.348 2.492 10 30 CEEERN CN(C)c1ccc(N)c(Oc2cccc(C#N)n2)c1 ZINC000093648017 184701860 /nfs/dbraw/zinc/70/18/60/184701860.db2.gz KNBHASQIBKBJEN-UHFFFAOYSA-N 0 0 254.293 2.394 10 30 CEEERN N#C[C@]1(NC2CC2)CCC[C@H](SCCCO)C1 ZINC000093747878 184713121 /nfs/dbraw/zinc/71/31/21/184713121.db2.gz HWXQVUZGOVZBAE-STQMWFEESA-N 0 0 254.399 2.059 10 30 CEEERN N#C[C@]1(NC2CC2)CC[C@H](n2cc(Br)cn2)C1 ZINC000093803832 184723611 /nfs/dbraw/zinc/72/36/11/184723611.db2.gz LIJPMDZMAQNQLZ-RYUDHWBXSA-N 0 0 295.184 2.385 10 30 CEEERN O=C(c1csc(C#CCO)c1)N1CCc2ccccc21 ZINC000093973754 184746706 /nfs/dbraw/zinc/74/67/06/184746706.db2.gz MNJQJZNHZYSTCE-UHFFFAOYSA-N 0 0 283.352 2.295 10 30 CEEERN Cc1cnc(NC(=O)c2csc(C#CCO)c2)s1 ZINC000093973718 184746962 /nfs/dbraw/zinc/74/69/62/184746962.db2.gz IDPKAAVXIHDATH-UHFFFAOYSA-N 0 0 278.358 2.109 10 30 CEEERN Cc1ccc(CNC(=O)c2csc(C#CCCO)c2)o1 ZINC000093974963 184747513 /nfs/dbraw/zinc/74/75/13/184747513.db2.gz XNNBIGMQMPPLCO-UHFFFAOYSA-N 0 0 289.356 2.313 10 30 CEEERN N#Cc1cccc(CNC(=O)c2c(F)ccc(N)c2F)c1 ZINC000094189476 184760636 /nfs/dbraw/zinc/76/06/36/184760636.db2.gz QFOWGJGFLHYGJY-UHFFFAOYSA-N 0 0 287.269 2.349 10 30 CEEERN CCCC1(O)CN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337615 184783131 /nfs/dbraw/zinc/78/31/31/184783131.db2.gz BTRNHJQVQMHDNW-UHFFFAOYSA-N 0 0 285.269 2.323 10 30 CEEERN C#Cc1cccc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000094364796 184789552 /nfs/dbraw/zinc/78/95/52/184789552.db2.gz IQRDJMWAEYHOMC-CVEARBPZSA-N 0 0 257.333 2.418 10 30 CEEERN C=CCN1C(=O)N=C(N)[C@H]1c1ccc2ncccc2c1 ZINC000094516409 184813400 /nfs/dbraw/zinc/81/34/00/184813400.db2.gz UAUJQHGBYVLSJM-CYBMUJFWSA-N 0 0 266.304 2.255 10 30 CEEERN CCCN(C)C(=O)c1cc(C)c(C#CCCO)s1 ZINC000094534077 184814587 /nfs/dbraw/zinc/81/45/87/184814587.db2.gz YIUQMLGXSRPKBU-UHFFFAOYSA-N 0 0 265.378 2.272 10 30 CEEERN Cc1cc(C(=O)NCC2CCCC2)sc1C#CCO ZINC000094533808 184814717 /nfs/dbraw/zinc/81/47/17/184814717.db2.gz KCTJRGDRQWNWDG-UHFFFAOYSA-N 0 0 277.389 2.320 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC000094636562 184831504 /nfs/dbraw/zinc/83/15/04/184831504.db2.gz MGFSYQWOHFIWOY-OLZOCXBDSA-N 0 0 279.361 2.293 10 30 CEEERN CCc1ccsc1CNS(=O)(=O)[C@@H](C#N)CC ZINC000094878221 184885906 /nfs/dbraw/zinc/88/59/06/184885906.db2.gz AMYABXMKCZJPNI-SNVBAGLBSA-N 0 0 272.395 2.032 10 30 CEEERN CCC1(C(=O)Nc2cccc(C#CCO)n2)CCCC1 ZINC000094906416 184891432 /nfs/dbraw/zinc/89/14/32/184891432.db2.gz QFUUOVZRNJXBCR-UHFFFAOYSA-N 0 0 272.348 2.334 10 30 CEEERN C=C[C@@](C)(CC)C(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191754338 130296008 /nfs/dbraw/zinc/29/60/08/130296008.db2.gz RBJSBGBQQYFAPQ-HOCLYGCPSA-N 0 0 291.395 2.405 10 30 CEEERN CCC[C@@H](C#N)N1CCN(c2cc(CC)nc(C)n2)CC1 ZINC000088760005 135057035 /nfs/dbraw/zinc/05/70/35/135057035.db2.gz KQAGSBPWGQSYOA-HNNXBMFYSA-N 0 0 287.411 2.162 10 30 CEEERN C#CCNC(=O)c1ccc(N2CC[C@@H]3CCCC[C@H]32)nc1 ZINC000301535307 394461590 /nfs/dbraw/zinc/46/15/90/394461590.db2.gz AKYKJAYCWVEIPA-DZGCQCFKSA-N 0 0 283.375 2.214 10 30 CEEERN C=CCNC(=O)c1ccc(N[C@@H]2CCC[C@H](OC)C2)nc1 ZINC000301787505 394465932 /nfs/dbraw/zinc/46/59/32/394465932.db2.gz PYHUEXONEWQVIR-KGLIPLIRSA-N 0 0 289.379 2.367 10 30 CEEERN C#CCn1cc(CN(C)c2nc(C)nc3c2CCCC3)cn1 ZINC000302076301 394472138 /nfs/dbraw/zinc/47/21/38/394472138.db2.gz HGJOIBNFPLTCKI-UHFFFAOYSA-N 0 0 295.390 2.130 10 30 CEEERN CC(C)(C)OC(=O)N1CC[C@](C)(C=NO)[C@@H](F)C1 ZINC000309878088 394532962 /nfs/dbraw/zinc/53/29/62/394532962.db2.gz XOKYQYAOCSZDMU-JOYOIKCWSA-N 0 0 260.309 2.432 10 30 CEEERN CCOc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000359678405 394771375 /nfs/dbraw/zinc/77/13/75/394771375.db2.gz NPESYKUBXGRKLV-UKRRQHHQSA-N 0 0 272.348 2.436 10 30 CEEERN C=C[C@](C)(CC)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000135054021 394962498 /nfs/dbraw/zinc/96/24/98/394962498.db2.gz AVRVECPFGVAXIR-SWLSCSKDSA-N 0 0 261.369 2.338 10 30 CEEERN N#CCc1ccc(NC(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000175889482 395134713 /nfs/dbraw/zinc/13/47/13/395134713.db2.gz UGASOCSSZISMHT-CYBMUJFWSA-N 0 0 296.334 2.001 10 30 CEEERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OC(C)(C)C#N)C1 ZINC000181824015 395225298 /nfs/dbraw/zinc/22/52/98/395225298.db2.gz JHYDYKFNCMICOH-SNVBAGLBSA-N 0 0 282.340 2.089 10 30 CEEERN CCc1nnc(N2C[C@H]3CCC[C@@H]32)c(C#N)c1CC ZINC000531823557 395459322 /nfs/dbraw/zinc/45/93/22/395459322.db2.gz HHFZJPKEGHEXDT-YGRLFVJLSA-N 0 0 256.353 2.462 10 30 CEEERN COC(=O)Cc1c(F)c(C#N)ccc1C(F)(F)F ZINC000575344850 395660351 /nfs/dbraw/zinc/66/03/51/395660351.db2.gz BIYSGQAHGFPHRX-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN CCOC(=O)c1nc(OC(F)(F)F)ccc1C#N ZINC000575374398 395661469 /nfs/dbraw/zinc/66/14/69/395661469.db2.gz XLCAFLFKETVIJC-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)Cc1c(Cl)ccc(C=O)c1C#N ZINC000575382720 395662328 /nfs/dbraw/zinc/66/23/28/395662328.db2.gz UQFKLOTYDJCBAJ-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)c1c(C#N)ccc(Cl)c1[N+](=O)[O-] ZINC000575382885 395662359 /nfs/dbraw/zinc/66/23/59/395662359.db2.gz NGFCNHNZACCWMK-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(Cl)cc1OC ZINC000575382797 395662380 /nfs/dbraw/zinc/66/23/80/395662380.db2.gz QVVJKLNVEPKFGM-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)c1cc(C#N)cc(Cl)c1[N+](=O)[O-] ZINC000575382910 395662393 /nfs/dbraw/zinc/66/23/93/395662393.db2.gz QXOFEZFGFZKENF-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1cc(C#N)cc(Cl)c1[N+](=O)[O-] ZINC000575382954 395662526 /nfs/dbraw/zinc/66/25/26/395662526.db2.gz XJQGEIYERBDYGB-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1cc(OC)cc(Br)c1C#N ZINC000575383006 395662605 /nfs/dbraw/zinc/66/26/05/395662605.db2.gz MYOMDCIEHCXDTD-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(OC(F)F)c1F ZINC000575385738 395662827 /nfs/dbraw/zinc/66/28/27/395662827.db2.gz HRCXKPVNWOQWFR-UHFFFAOYSA-N 0 0 259.183 2.014 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)c(O)cc1C#N ZINC000575385819 395663021 /nfs/dbraw/zinc/66/30/21/395663021.db2.gz NGOGDGIEZDYEJJ-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(CO)c1C(F)F ZINC000575387297 395663126 /nfs/dbraw/zinc/66/31/26/395663126.db2.gz AVDNTYFBADEETF-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)cc1C=O ZINC000575387293 395663237 /nfs/dbraw/zinc/66/32/37/395663237.db2.gz AOBYRCJZECYBDA-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)Cc1ccc(OC(F)F)c(F)c1C#N ZINC000575386167 395663263 /nfs/dbraw/zinc/66/32/63/395663263.db2.gz XHSFNZXUEIZWLH-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)Cc1ccc(C(F)F)c(C#N)c1C=O ZINC000575388085 395663355 /nfs/dbraw/zinc/66/33/55/395663355.db2.gz UZIYQFIJQHTTIM-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)c1cc(C#N)c(OC(F)F)cc1OC ZINC000575388629 395663844 /nfs/dbraw/zinc/66/38/44/395663844.db2.gz OMSWRIFNYKEAJR-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN COC(=O)Cc1c(C(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575389684 395664001 /nfs/dbraw/zinc/66/40/01/395664001.db2.gz ZSVYRGKEZYSRPV-UHFFFAOYSA-N 0 0 270.191 2.120 10 30 CEEERN COC(=O)Cc1ccc(F)c(OC(F)(F)F)c1C#N ZINC000575390402 395664213 /nfs/dbraw/zinc/66/42/13/395664213.db2.gz IZNHABYFMOTHKS-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN N#Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1F ZINC000306402413 400333390 /nfs/dbraw/zinc/33/33/90/400333390.db2.gz DVWUNQQXGZPORT-UHFFFAOYSA-N 0 0 266.231 2.498 10 30 CEEERN CSC[C@@](C)(O)CNc1cc(C)nc(C)c1C#N ZINC000219764263 153303383 /nfs/dbraw/zinc/30/33/83/153303383.db2.gz ITRCCGGLZYVUPS-ZDUSSCGKSA-N 0 0 265.382 2.096 10 30 CEEERN N#Cc1cccc(C#N)c1NC[C@@H](O)c1ccco1 ZINC000302817991 154193561 /nfs/dbraw/zinc/19/35/61/154193561.db2.gz CDVHISBUCQZPQS-GFCCVEGCSA-N 0 0 253.261 2.168 10 30 CEEERN Cc1ccc2c(c1C)N(CC#N)C(=O)C21O[C@@H](C)[C@H](C)O1 ZINC000026463727 292371506 /nfs/dbraw/zinc/37/15/06/292371506.db2.gz RFUUPZAVIAWDSB-RYUDHWBXSA-N 0 0 286.331 2.150 10 30 CEEERN N#CCSc1nnc(-c2ccc3nc[nH]c3c2)o1 ZINC000006813654 170245899 /nfs/dbraw/zinc/24/58/99/170245899.db2.gz DHEIPMFNJBHDMP-UHFFFAOYSA-N 0 0 257.278 2.229 10 30 CEEERN COC(=O)/C(=N\Nc1ccccc1)NNc1ccccc1 ZINC000007060793 170265530 /nfs/dbraw/zinc/26/55/30/170265530.db2.gz WTPFOZOMCMLYGY-UHFFFAOYSA-N 0 0 284.319 2.202 10 30 CEEERN C=CCOc1ccc(NC(=S)NC(=O)C2CC2)cc1 ZINC000007390918 170282587 /nfs/dbraw/zinc/28/25/87/170282587.db2.gz BRDUADFYCMJIDP-UHFFFAOYSA-N 0 0 276.361 2.474 10 30 CEEERN C[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccco1 ZINC000007703666 170298573 /nfs/dbraw/zinc/29/85/73/170298573.db2.gz GCNRTUFXZMIIRE-SNVBAGLBSA-N 0 0 276.317 2.191 10 30 CEEERN N#CCn1c(N)nnc1SCc1ccccc1Cl ZINC000008015073 170313585 /nfs/dbraw/zinc/31/35/85/170313585.db2.gz QCBNNTRDIKZKCL-UHFFFAOYSA-N 0 0 279.756 2.330 10 30 CEEERN COc1ccccc1NN=C(C#N)C1=NC(=O)CS1 ZINC000008496099 170338223 /nfs/dbraw/zinc/33/82/23/170338223.db2.gz KJIURNMMUZBAJB-SXGWCWSVSA-N 0 0 274.305 2.197 10 30 CEEERN COC[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC(C)(C)O1 ZINC000284435710 196054691 /nfs/dbraw/zinc/05/46/91/196054691.db2.gz BBJRYJLSDODWGN-AWEZNQCLSA-N 0 0 292.354 2.323 10 30 CEEERN C=CCNC(=O)[C@@H](C)Oc1ccccc1C(=O)CC ZINC000020311044 171144560 /nfs/dbraw/zinc/14/45/60/171144560.db2.gz OUVHUZKAXJNLOZ-LLVKDONJSA-N 0 0 261.321 2.349 10 30 CEEERN COc1cc(C#N)ccc1N1C(=O)c2ccccc2C1=O ZINC000020416646 171183000 /nfs/dbraw/zinc/18/30/00/171183000.db2.gz ZMSYIANQYYDRRT-UHFFFAOYSA-N 0 0 278.267 2.367 10 30 CEEERN C#CCNC(=O)[C@@H](C)Nc1cc(Cl)ccc1F ZINC000035284553 172102971 /nfs/dbraw/zinc/10/29/71/172102971.db2.gz RTOZNWOSDLNMEU-MRVPVSSYSA-N 0 0 254.692 2.029 10 30 CEEERN COC(=O)[C@@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000035758646 172398922 /nfs/dbraw/zinc/39/89/22/172398922.db2.gz HUNOJLYNEWZXSJ-QMMMGPOBSA-N 0 0 252.701 2.433 10 30 CEEERN N#C[C@H](C(=O)C1CCC1)c1ccc2c(c1)OCCO2 ZINC000037348110 173144123 /nfs/dbraw/zinc/14/41/23/173144123.db2.gz DTBCWTBNPYMGBC-LBPRGKRZSA-N 0 0 257.289 2.434 10 30 CEEERN C#CCNC(=O)[C@H](C)Nc1cc(Br)ccc1C ZINC000037368208 173157454 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CEEERN COC(=O)[C@@]1(C)CCCN1C(=O)/C=C/c1ccccc1C#N ZINC000187670762 369198467 /nfs/dbraw/zinc/19/84/67/369198467.db2.gz MJLISHCYGJASGH-KBOKABMXSA-N 0 0 298.342 2.126 10 30 CEEERN C=C(C)CNC(=O)N[C@@H](C)COCc1ccccc1 ZINC000187838426 369233350 /nfs/dbraw/zinc/23/33/50/369233350.db2.gz XOCKFZYAJZZFDB-ZDUSSCGKSA-N 0 0 262.353 2.467 10 30 CEEERN C=CC[C@@H](C(=O)N1CC(NC(=O)C2CC2)C1)c1ccccc1 ZINC000189494144 369525383 /nfs/dbraw/zinc/52/53/83/369525383.db2.gz PCGXLDFJDVKIBL-MRXNPFEDSA-N 0 0 298.386 2.083 10 30 CEEERN COc1cc(OC(=O)[C@H]2CCCO[C@@H]2C)ccc1C#N ZINC000195178714 370111485 /nfs/dbraw/zinc/11/14/85/370111485.db2.gz WUZNEFYSMMYZTG-MFKMUULPSA-N 0 0 275.304 2.287 10 30 CEEERN N#CC1(c2cccc(O)c2)CCC2(CC1)OCCO2 ZINC000196157986 370145568 /nfs/dbraw/zinc/14/55/68/370145568.db2.gz QYZWFXLNMNEXNH-UHFFFAOYSA-N 0 0 259.305 2.471 10 30 CEEERN CC[C@H](CSC)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000234020762 370527303 /nfs/dbraw/zinc/52/73/03/370527303.db2.gz HKFYFXCOEIWVRK-MRVPVSSYSA-N 0 0 266.326 2.415 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CEEERN Cc1nn(C)c(N(C)CCc2cccs2)c1C#N ZINC000093290909 184660646 /nfs/dbraw/zinc/66/06/46/184660646.db2.gz ORKQBPCIXXPZMJ-UHFFFAOYSA-N 0 0 260.366 2.341 10 30 CEEERN Cc1nnc(SCCOc2ccc(C#N)cc2)n1C ZINC000022150583 256809941 /nfs/dbraw/zinc/80/99/41/256809941.db2.gz AYMLSTHTHMHXER-UHFFFAOYSA-N 0 0 274.349 2.166 10 30 CEEERN CC(C)N(CC#N)C(=O)c1cnn(-c2ccccc2)c1 ZINC000080213663 177626712 /nfs/dbraw/zinc/62/67/12/177626712.db2.gz HISGORALAVPLSS-UHFFFAOYSA-N 0 0 268.320 2.246 10 30 CEEERN CCCOCCOCC[C@@H]1CCC[C@@]1(C#N)NCC ZINC000093579873 184691554 /nfs/dbraw/zinc/69/15/54/184691554.db2.gz WABQTNJMWNPLHW-GJZGRUSLSA-N 0 0 268.401 2.492 10 30 CEEERN CCCOCCOCC[C@H]1CCC[C@@]1(C#N)NCC ZINC000093579874 184691764 /nfs/dbraw/zinc/69/17/64/184691764.db2.gz WABQTNJMWNPLHW-CABCVRRESA-N 0 0 268.401 2.492 10 30 CEEERN CN(C)c1ccc(N)c(Oc2ccc(C#N)cn2)c1 ZINC000093648024 184702198 /nfs/dbraw/zinc/70/21/98/184702198.db2.gz VKKJZFMZUOYMBD-UHFFFAOYSA-N 0 0 254.293 2.394 10 30 CEEERN CCC[C@@H](C)N(C)C(=O)c1csc(C#CCO)c1 ZINC000093973966 184746961 /nfs/dbraw/zinc/74/69/61/184746961.db2.gz SGFLPVWMVIHEKK-LLVKDONJSA-N 0 0 265.378 2.353 10 30 CEEERN Cc1sc(=O)n(Cc2cc(F)cc(C#CCO)c2)c1C ZINC000093982154 184747731 /nfs/dbraw/zinc/74/77/31/184747731.db2.gz BOJXMAVDLHVFNA-UHFFFAOYSA-N 0 0 291.347 2.058 10 30 CEEERN C#CCN1C(=O)N=C(N)[C@@H]1c1c(Cl)cccc1Cl ZINC000094517019 184813253 /nfs/dbraw/zinc/81/32/53/184813253.db2.gz GINSZRWMJMDLBP-JTQLQIEISA-N 0 0 282.130 2.461 10 30 CEEERN Cc1nn(C)c(C)c1CNc1ccc(C#N)c(N)c1 ZINC000094591189 184822013 /nfs/dbraw/zinc/82/20/13/184822013.db2.gz BOUDKPFONDSJGS-UHFFFAOYSA-N 0 0 255.325 2.103 10 30 CEEERN CC1CCC(O)(CNc2ccc(C#N)c(N)c2)CC1 ZINC000094591090 184822194 /nfs/dbraw/zinc/82/21/94/184822194.db2.gz UDWYBIDYSNQOLH-UHFFFAOYSA-N 0 0 259.353 2.494 10 30 CEEERN CCCOCCOc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094593627 184823035 /nfs/dbraw/zinc/82/30/35/184823035.db2.gz FTNQWXVYEQULRR-UHFFFAOYSA-N 0 0 250.254 2.272 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000095017821 184916724 /nfs/dbraw/zinc/91/67/24/184916724.db2.gz SLBPZELMEJBYKJ-OLZOCXBDSA-N 0 0 294.395 2.364 10 30 CEEERN CCOCCCC(=O)Nc1ccccc1C#CCCO ZINC000095037273 184920528 /nfs/dbraw/zinc/92/05/28/184920528.db2.gz ZTNSJOSOGGAOKO-UHFFFAOYSA-N 0 0 275.348 2.176 10 30 CEEERN CC[C@H](C#N)S(=O)(=O)NCc1cc(C)c(F)c(C)c1 ZINC000094894821 184888929 /nfs/dbraw/zinc/88/89/29/184888929.db2.gz CWZQNPCVGUMWJA-GFCCVEGCSA-N 0 0 284.356 2.164 10 30 CEEERN CCN(Cc1ccccn1)Cc1cccnc1C#N ZINC000094915666 184893151 /nfs/dbraw/zinc/89/31/51/184893151.db2.gz SPEPQQJERGNVST-UHFFFAOYSA-N 0 0 252.321 2.370 10 30 CEEERN N#Cc1nccn1-c1ccc(N)cc1C(F)(F)F ZINC000094936430 184896121 /nfs/dbraw/zinc/89/61/21/184896121.db2.gz WJORAPIPDCSWST-UHFFFAOYSA-N 0 0 252.199 2.345 10 30 CEEERN N#Cc1cccc(N2C(=O)CC3(CCCC3)NC2=O)c1 ZINC000084145483 135031971 /nfs/dbraw/zinc/03/19/71/135031971.db2.gz IHCLMIAGCLGINU-UHFFFAOYSA-N 0 0 269.304 2.317 10 30 CEEERN C[C@@H](O)c1ccc(N2CCO[C@H](C#N)C2)c(Cl)c1 ZINC000093933052 135082845 /nfs/dbraw/zinc/08/28/45/135082845.db2.gz AQFHGTFYDLWHLI-MWLCHTKSSA-N 0 0 266.728 2.122 10 30 CEEERN C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1O ZINC000305828371 394513089 /nfs/dbraw/zinc/51/30/89/394513089.db2.gz NWQJCSDGBHMEDP-IUODEOHRSA-N 0 0 284.359 2.085 10 30 CEEERN CN(C)C(=O)N1CC/C(=N/O)c2cc(Cl)ccc21 ZINC000034098463 394492291 /nfs/dbraw/zinc/49/22/91/394492291.db2.gz ZUCXFPUJJXJECB-UVTDQMKNSA-N 0 0 267.716 2.410 10 30 CEEERN Cc1cc(NC[C@H]2CCC[C@H]2O)c(C#N)cc1[N+](=O)[O-] ZINC000413159992 394495332 /nfs/dbraw/zinc/49/53/32/394495332.db2.gz BXHLROLDDRUPAS-QMTHXVAHSA-N 0 0 275.308 2.348 10 30 CEEERN N#Cc1cc(Cl)ccc1N1CCn2ccnc2C1 ZINC000062255497 394570102 /nfs/dbraw/zinc/57/01/02/394570102.db2.gz GTUZCFUCUPRVPK-UHFFFAOYSA-N 0 0 258.712 2.428 10 30 CEEERN N#Cc1cnc(N2CCN3CCCC[C@H]3C2)c(Cl)c1 ZINC000246559198 394518386 /nfs/dbraw/zinc/51/83/86/394518386.db2.gz FEYZEYQDNOTJFW-LBPRGKRZSA-N 0 0 276.771 2.281 10 30 CEEERN C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)N1CCOCC1 ZINC000120535377 394780416 /nfs/dbraw/zinc/78/04/16/394780416.db2.gz RIRMYZBOLVFAPM-RNEAKCBISA-N 0 0 299.374 2.080 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCOc1ccc(F)cc1 ZINC000360333644 394797204 /nfs/dbraw/zinc/79/72/04/394797204.db2.gz ANNCPJPUPYSRKO-SMDDNHRTSA-N 0 0 276.311 2.403 10 30 CEEERN C=C[C@@H](CC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000134536281 394957728 /nfs/dbraw/zinc/95/77/28/394957728.db2.gz OSTMVHAAXJFMHK-ZFWWWQNUSA-N 0 0 296.374 2.069 10 30 CEEERN Cc1cc(N(C)CC2CCOCC2)c(C#N)c(C)n1 ZINC000157437703 395034953 /nfs/dbraw/zinc/03/49/53/395034953.db2.gz KKGMADQZTPXTRW-UHFFFAOYSA-N 0 0 259.353 2.433 10 30 CEEERN C[C@H](C#N)CNC(=O)N[C@@H](C)COCc1ccccc1 ZINC000182691829 395246821 /nfs/dbraw/zinc/24/68/21/395246821.db2.gz ULLXHRYLLOKPEK-OLZOCXBDSA-N 0 0 275.352 2.051 10 30 CEEERN C#C[C@@H](C)NC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000185344170 395278056 /nfs/dbraw/zinc/27/80/56/395278056.db2.gz BMZNIXNXOTYJBN-MLGOLLRUSA-N 0 0 294.395 2.304 10 30 CEEERN CCOC(=O)Cc1cc(Cl)cc(C#N)c1C=O ZINC000575382699 395662176 /nfs/dbraw/zinc/66/21/76/395662176.db2.gz ANVCJVFOGVRZJG-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1cc(Cl)cc(C=O)c1C#N ZINC000575382715 395662334 /nfs/dbraw/zinc/66/23/34/395662334.db2.gz OFAKEWYHNUCLML-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1cc(C=O)cc(C#N)c1Cl ZINC000575382718 395662347 /nfs/dbraw/zinc/66/23/47/395662347.db2.gz SMBAGOZSBKDEIX-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1cc(Br)cc(OC)c1C#N ZINC000575383005 395662560 /nfs/dbraw/zinc/66/25/60/395662560.db2.gz MXGNORVECYSWBJ-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)Cc1c(OC)ccc(Br)c1C#N ZINC000575383003 395662632 /nfs/dbraw/zinc/66/26/32/395662632.db2.gz JUJYRVJBEISJHC-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)c(C#N)cc1C=O ZINC000575385965 395662925 /nfs/dbraw/zinc/66/29/25/395662925.db2.gz QKLCFRFMVJMCLJ-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(CO)c1C(F)F ZINC000575387455 395663199 /nfs/dbraw/zinc/66/31/99/395663199.db2.gz GXOBBGYXPDLOJQ-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN COC(=O)Cc1c(C)c(C#N)ccc1OC(F)F ZINC000575387230 395663249 /nfs/dbraw/zinc/66/32/49/395663249.db2.gz DFMAOKUHGWLFME-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN COC(=O)Cc1cc(C(F)F)cc(C=O)c1C#N ZINC000575388124 395663413 /nfs/dbraw/zinc/66/34/13/395663413.db2.gz XQKWJOSFKGMUKA-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)F)c1OC ZINC000575388438 395663590 /nfs/dbraw/zinc/66/35/90/395663590.db2.gz IPRRXNRTCBJFNR-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN CCOC(=O)c1ccc(OC)c(OC(F)F)c1C#N ZINC000575388484 395663607 /nfs/dbraw/zinc/66/36/07/395663607.db2.gz KPKZYIXPADXGKZ-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)cc([N+](=O)[O-])c1C#N ZINC000575388465 395663704 /nfs/dbraw/zinc/66/37/04/395663704.db2.gz VNUUYXNXUNVCTI-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)c1c(C#N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575388395 395663708 /nfs/dbraw/zinc/66/37/08/395663708.db2.gz TZLZZYWAOPKZBB-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN COC(=O)Cc1cc(C)c(OC(F)F)cc1C#N ZINC000575388598 395663838 /nfs/dbraw/zinc/66/38/38/395663838.db2.gz ZKCBLWRPRFTELP-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)c1cc(C#N)c(C(F)F)c(C=O)c1 ZINC000575389459 395664040 /nfs/dbraw/zinc/66/40/40/395664040.db2.gz IURILKUGBAGWMN-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN N#Cc1ccc(NCC[C@@H]2c3ccccc3NC2=O)nc1 ZINC000192601361 153212594 /nfs/dbraw/zinc/21/25/94/153212594.db2.gz PKJRWFISRSEXIT-CYBMUJFWSA-N 0 0 278.315 2.491 10 30 CEEERN Cc1ccc(C#N)cc1NCc1nnnn1C(C)C ZINC000195004945 153268847 /nfs/dbraw/zinc/26/88/47/153268847.db2.gz MQKQOLAYWNEDRU-UHFFFAOYSA-N 0 0 256.313 2.046 10 30 CEEERN Cc1cnc([C@H](C)Nc2ncc([N+](=O)[O-])cc2C#N)o1 ZINC000226547931 165476302 /nfs/dbraw/zinc/47/63/02/165476302.db2.gz YNJHADVCCRNRSO-QMMMGPOBSA-N 0 0 273.252 2.331 10 30 CEEERN Cc1cc(C)nc(NC(=S)N/N=C/c2ccccc2)n1 ZINC000005680757 170127906 /nfs/dbraw/zinc/12/79/06/170127906.db2.gz SBZWPKHENCZVFK-OQLLNIDSSA-N 0 0 285.376 2.414 10 30 CEEERN N#Cc1ccc([S@](=O)c2cccc(N)c2C#N)cc1 ZINC000005932918 170157355 /nfs/dbraw/zinc/15/73/55/170157355.db2.gz IJIBSFGQKDYTDK-LJQANCHMSA-N 0 0 267.313 2.179 10 30 CEEERN C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)N(C)C ZINC000007857369 170305728 /nfs/dbraw/zinc/30/57/28/170305728.db2.gz GIVGRHVZIJQBHK-QMMMGPOBSA-N 0 0 252.701 2.067 10 30 CEEERN N#Cc1cc(N2C[C@H](O)C[C@H]2c2cccc(F)c2)ccn1 ZINC000284409320 196048655 /nfs/dbraw/zinc/04/86/55/196048655.db2.gz BKRGDGVZURAVBA-CVEARBPZSA-N 0 0 283.306 2.405 10 30 CEEERN COc1ccc(N)cc1NC(=O)c1cccc(C#N)c1 ZINC000019264912 170763920 /nfs/dbraw/zinc/76/39/20/170763920.db2.gz JLHOFRQMBLLXLE-UHFFFAOYSA-N 0 0 267.288 2.401 10 30 CEEERN N/C(=N\O)c1ccc(OCc2cccc(F)c2)cc1 ZINC000019487505 170813030 /nfs/dbraw/zinc/81/30/30/170813030.db2.gz RGMBHRJEMFUTPM-UHFFFAOYSA-N 0 0 260.268 2.499 10 30 CEEERN N#CCCN(c1ccccc1)[C@@H]1CCCCNC1=O ZINC000019814302 170880326 /nfs/dbraw/zinc/88/03/26/170880326.db2.gz BPKJZBRUDSXIKU-CQSZACIVSA-N 0 0 257.337 2.075 10 30 CEEERN COc1cc(NCCCC#N)cc(OC)c1OC ZINC000020042461 170976340 /nfs/dbraw/zinc/97/63/40/170976340.db2.gz JPJFCVDLZANQPY-UHFFFAOYSA-N 0 0 250.298 2.428 10 30 CEEERN C[C@@H](Nc1ccccc1C#N)C(=O)NC1CCCC1 ZINC000020308307 171143417 /nfs/dbraw/zinc/14/34/17/171143417.db2.gz XFENAVQUMSEMFI-LLVKDONJSA-N 0 0 257.337 2.417 10 30 CEEERN CCCNC(=O)[C@H](C)N(CCC#N)c1ccccc1 ZINC000020358744 171157303 /nfs/dbraw/zinc/15/73/03/171157303.db2.gz BCSYNGHGKNDJDQ-ZDUSSCGKSA-N 0 0 259.353 2.321 10 30 CEEERN C#CCNC(=O)[C@H](C)Nc1cc(Cl)ccc1F ZINC000035284551 172102710 /nfs/dbraw/zinc/10/27/10/172102710.db2.gz RTOZNWOSDLNMEU-QMMMGPOBSA-N 0 0 254.692 2.029 10 30 CEEERN O=C1c2ccccc2C2=NC(=O)N[C@@H](c3ccc(O)cc3)C12 ZINC000035576000 172272576 /nfs/dbraw/zinc/27/25/76/172272576.db2.gz WTBNTARCLJWGHB-AWEZNQCLSA-N 0 0 292.294 2.354 10 30 CEEERN C=CCNC(=O)[C@@H](C)Sc1ccc(F)cc1N ZINC000037195146 173023891 /nfs/dbraw/zinc/02/38/91/173023891.db2.gz RDQJEOQJGUKKGF-MRVPVSSYSA-N 0 0 254.330 2.191 10 30 CEEERN CC(C)CN(CCC#N)C(=O)[C@H]1CNc2ccccc2O1 ZINC000037495516 173235049 /nfs/dbraw/zinc/23/50/49/173235049.db2.gz ISVGNCOSTWNGQO-OAHLLOKOSA-N 0 0 287.363 2.258 10 30 CEEERN O=C(Nc1cccc(C#CCO)c1)c1ccsc1 ZINC000037548733 173266044 /nfs/dbraw/zinc/26/60/44/173266044.db2.gz MEDAQVWCYCKIGJ-UHFFFAOYSA-N 0 0 257.314 2.344 10 30 CEEERN N#Cc1cc(N)cnc1Oc1cccc(F)c1C#N ZINC000037759387 173684893 /nfs/dbraw/zinc/68/48/93/173684893.db2.gz QJBRMGBLIZWRNF-UHFFFAOYSA-N 0 0 254.224 2.339 10 30 CEEERN C#CCn1c(CCNC(=O)CCC)nc2ccccc21 ZINC000040197768 174203587 /nfs/dbraw/zinc/20/35/87/174203587.db2.gz OPEOXYCKIPUBSM-UHFFFAOYSA-N 0 0 269.348 2.128 10 30 CEEERN C=CCNc1ncnc(Nc2ccccc2C(=O)OC)c1N ZINC000040708950 174379913 /nfs/dbraw/zinc/37/99/13/174379913.db2.gz BMEJMNIXGWUOHU-UHFFFAOYSA-N 0 0 299.334 2.187 10 30 CEEERN C#Cc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000041654736 174593206 /nfs/dbraw/zinc/59/32/06/174593206.db2.gz XLJYWTPFLKEVEG-KBPBESRZSA-N 0 0 251.285 2.124 10 30 CEEERN CN1C(=O)C[C@H](C#N)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000216655067 414843043 /nfs/dbraw/zinc/84/30/43/414843043.db2.gz TUJRWYWTHYIVEN-BMIGLBTASA-N 0 0 284.294 2.054 10 30 CEEERN COCCN(c1nnc(C)c(C)c1C#N)[C@@H](C)C1CC1 ZINC000042681529 174836650 /nfs/dbraw/zinc/83/66/50/174836650.db2.gz XRHBIGJUQXKIRS-LBPRGKRZSA-N 0 0 274.368 2.216 10 30 CEEERN OCCC#Cc1csc(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043698808 175096596 /nfs/dbraw/zinc/09/65/96/175096596.db2.gz XMBGQMJFMRUYCM-JKSUJKDBSA-N 0 0 291.416 2.235 10 30 CEEERN CC(C)CN(CCC#N)Cc1cc(C#CCO)cs1 ZINC000043698803 175097048 /nfs/dbraw/zinc/09/70/48/175097048.db2.gz ICZFKCRLYUSELE-UHFFFAOYSA-N 0 0 276.405 2.464 10 30 CEEERN C[C@@H]1CN(C(=O)C2(C#N)CCCCCC2)CCO1 ZINC000044764595 175248510 /nfs/dbraw/zinc/24/85/10/175248510.db2.gz DFVIBVARMFYQCO-GFCCVEGCSA-N 0 0 250.342 2.098 10 30 CEEERN N#CC1(C(=O)N2CCC(CO)CC2)CCCCCC1 ZINC000044765431 175249092 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2.295 10 30 CEEERN Cc1ccc(C#N)cc1N[C@@H](C)C(=O)NCC(C)C ZINC000050430303 526008562 /nfs/dbraw/zinc/00/85/62/526008562.db2.gz UBDOZZSBFCYJFH-LBPRGKRZSA-N 0 0 259.353 2.439 10 30 CEEERN COc1cccc(CO)c1OCc1ccnc(C#N)c1 ZINC000068756130 526047224 /nfs/dbraw/zinc/04/72/24/526047224.db2.gz GRBZHFKTUMXGTI-UHFFFAOYSA-N 0 0 270.288 2.033 10 30 CEEERN Cc1cnc(CNc2nc3c(cc2C#N)CCC3)cn1 ZINC000061321734 526052286 /nfs/dbraw/zinc/05/22/86/526052286.db2.gz SDBHKIXOUQWRCC-UHFFFAOYSA-N 0 0 265.320 2.153 10 30 CEEERN Cc1ccc(C(=O)OCc2cccnc2C#N)cc1N ZINC000061663792 526237799 /nfs/dbraw/zinc/23/77/99/526237799.db2.gz DVNOEDGOJSOOBP-UHFFFAOYSA-N 0 0 267.288 2.201 10 30 CEEERN N#CC1(NC(=O)CSc2ccccc2O)CCCC1 ZINC000050046435 526437192 /nfs/dbraw/zinc/43/71/92/526437192.db2.gz ONMCGUPYRLHVCV-UHFFFAOYSA-N 0 0 276.361 2.437 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)o1 ZINC000061888945 526502187 /nfs/dbraw/zinc/50/21/87/526502187.db2.gz BFBXNXFGUUFEAD-JGVFFNPUSA-N 0 0 283.125 2.464 10 30 CEEERN N#C[C@](Cn1ccc(C(F)(F)F)n1)(NC1CC1)C1CC1 ZINC000069084548 526515108 /nfs/dbraw/zinc/51/51/08/526515108.db2.gz KXTSPMJSBSKQOP-GFCCVEGCSA-N 0 0 284.285 2.326 10 30 CEEERN N#Cc1cc(CN2CCc3ccc(N)cc32)ccn1 ZINC000068755921 526550589 /nfs/dbraw/zinc/55/05/89/526550589.db2.gz IOGRNFJZKPOKEF-UHFFFAOYSA-N 0 0 250.305 2.098 10 30 CEEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1CCCO ZINC000052761645 526576648 /nfs/dbraw/zinc/57/66/48/526576648.db2.gz MRPBTFDFQDLUPB-LBPRGKRZSA-N 0 0 275.308 2.208 10 30 CEEERN N#Cc1ccc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000070158862 526604943 /nfs/dbraw/zinc/60/49/43/526604943.db2.gz VZNAJVJVAZITMV-HZPDHXFCSA-N 0 0 284.359 2.271 10 30 CEEERN N#Cc1ccc(NC(=O)N2CCC[C@@H]2CCCO)cc1 ZINC000052760621 526653544 /nfs/dbraw/zinc/65/35/44/526653544.db2.gz DOQIVVWZYQPQKU-CQSZACIVSA-N 0 0 273.336 2.327 10 30 CEEERN O=C(NCc1ccccc1C#CCO)c1cccc(F)c1 ZINC000049588007 526742654 /nfs/dbraw/zinc/74/26/54/526742654.db2.gz YMERMAQJTLZAII-UHFFFAOYSA-N 0 0 283.302 2.100 10 30 CEEERN Cc1nc(CNC(=O)[C@H](C#N)c2ccccc2)cs1 ZINC000061615007 526883089 /nfs/dbraw/zinc/88/30/89/526883089.db2.gz KXUWYNUOAXVZKN-CYBMUJFWSA-N 0 0 271.345 2.375 10 30 CEEERN Cc1nc(N)sc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000055173611 526953100 /nfs/dbraw/zinc/95/31/00/526953100.db2.gz IERXEJBCYZKPKS-UHFFFAOYSA-N 0 0 286.360 2.178 10 30 CEEERN C#CCNC(=O)CNc1ccc2ccc(Cl)c(C)c2n1 ZINC000302698274 527004703 /nfs/dbraw/zinc/00/47/03/527004703.db2.gz AOQRZUIEQNLGJF-UHFFFAOYSA-N 0 0 287.750 2.358 10 30 CEEERN Cc1nc2cc(Br)cnc2n1CC#N ZINC000057793383 527115657 /nfs/dbraw/zinc/11/56/57/527115657.db2.gz OFTLSANKGQSKSH-UHFFFAOYSA-N 0 0 251.087 2.026 10 30 CEEERN O=C(Nc1ccc(F)cc1)c1cncc(C#CCCO)c1 ZINC000049628327 527205102 /nfs/dbraw/zinc/20/51/02/527205102.db2.gz AJSXAPJEZHIPAR-UHFFFAOYSA-N 0 0 284.290 2.207 10 30 CEEERN O=C(Nc1cccc(C#CCO)n1)c1ccc(Cl)s1 ZINC000051172690 527326412 /nfs/dbraw/zinc/32/64/12/527326412.db2.gz LCXGWZZOQHAYRV-UHFFFAOYSA-N 0 0 292.747 2.393 10 30 CEEERN C=CCCn1cc(N)c(C)c(Br)c1=O 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CCCCCCCCCC(=O)N1CCOC[C@H]1CO ZINC000168447991 639570108 /nfs/dbraw/zinc/57/01/08/639570108.db2.gz JTUCMOYYYCWQPA-CQSZACIVSA-N 0 0 271.401 2.347 10 30 CEEERN Cc1cnc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)o1 ZINC000230643932 639776052 /nfs/dbraw/zinc/77/60/52/639776052.db2.gz CSXPWDNMQICSDV-RISCZKNCSA-N 0 0 271.320 2.239 10 30 CEEERN C[C@H](OC(=O)CCc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000175275208 641318547 /nfs/dbraw/zinc/31/85/47/641318547.db2.gz DYSLMJSTYNFTNC-WFASDCNBSA-N 0 0 273.332 2.459 10 30 CEEERN COc1cc(C#N)ccc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000124767730 649737888 /nfs/dbraw/zinc/73/78/88/649737888.db2.gz HXYRCPYJIUGVOI-JOYOIKCWSA-N 0 0 261.277 2.040 10 30 CEEERN CN(C)c1ccc(C(=O)Nc2ncccc2C#N)cc1 ZINC000082285965 177946210 /nfs/dbraw/zinc/94/62/10/177946210.db2.gz LJCJOHYRSVCFSV-UHFFFAOYSA-N 0 0 266.304 2.272 10 30 CEEERN COCCCSCc1cc(C#CCO)cs1 ZINC000082630026 178140986 /nfs/dbraw/zinc/14/09/86/178140986.db2.gz VEGUODFFEVFIQD-UHFFFAOYSA-N 0 0 256.392 2.362 10 30 CEEERN 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ZINC000302206793 201396639 /nfs/dbraw/zinc/39/66/39/201396639.db2.gz XGZQQPHWULJIPH-UHFFFAOYSA-N 0 0 285.278 2.491 10 30 CEEERN C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000094591616 364279820 /nfs/dbraw/zinc/27/98/20/364279820.db2.gz JDFJKRMWMZQMHF-TVQRCGJNSA-N 0 0 261.281 2.446 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1cccc(F)c1F ZINC000094712533 364290015 /nfs/dbraw/zinc/29/00/15/364290015.db2.gz CQDQNDKWGWALKN-CMPLNLGQSA-N 0 0 264.275 2.316 10 30 CEEERN N#Cc1cc(F)c(NC[C@H]2CCC[C@H]2O)c(F)c1 ZINC000097093845 364445774 /nfs/dbraw/zinc/44/57/74/364445774.db2.gz CLOWBRANMWYMRT-BXKDBHETSA-N 0 0 252.264 2.409 10 30 CEEERN N#Cc1ccc(CN2CCC(Nc3cccnn3)CC2)o1 ZINC000120294009 365402756 /nfs/dbraw/zinc/40/27/56/365402756.db2.gz JPPMVMNQABNAKF-UHFFFAOYSA-N 0 0 283.335 2.018 10 30 CEEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nc1 ZINC000583614668 367072963 /nfs/dbraw/zinc/07/29/63/367072963.db2.gz AWYKKQDENKFTLI-IMJJTQAJSA-N 0 0 299.374 2.109 10 30 CEEERN C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175755571 368173699 /nfs/dbraw/zinc/17/36/99/368173699.db2.gz BPGPPXXJPJUJMV-RYUDHWBXSA-N 0 0 285.384 2.156 10 30 CEEERN Cc1ccc2c(c1)[C@H](NS(=O)(=O)CCCC#N)[C@H](C)C2 ZINC000180594479 368387936 /nfs/dbraw/zinc/38/79/36/368387936.db2.gz JGXKULCRVCMPCH-IUODEOHRSA-N 0 0 292.404 2.452 10 30 CEEERN C#C[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000186082006 368917194 /nfs/dbraw/zinc/91/71/94/368917194.db2.gz KRFQSQQPRBJQAM-CHWSQXEVSA-N 0 0 282.347 2.254 10 30 CEEERN N#Cc1ccc(N2C[C@@H](c3ccsc3)[C@H](CO)C2)cn1 ZINC000186154301 368926691 /nfs/dbraw/zinc/92/66/91/368926691.db2.gz DYFLNDINDMLXKY-WFASDCNBSA-N 0 0 285.372 2.227 10 30 CEEERN N#CCOc1ccccc1C(=O)N[C@H]1COc2ccccc21 ZINC000194891282 370086693 /nfs/dbraw/zinc/08/66/93/370086693.db2.gz TYOIFKKQMLBOJV-AWEZNQCLSA-N 0 0 294.310 2.452 10 30 CEEERN C#CCOC(=O)c1cc(NC)ccc1N(CC)CC ZINC000226279107 370333649 /nfs/dbraw/zinc/33/36/49/370333649.db2.gz VJGOZCNWWDUDNV-UHFFFAOYSA-N 0 0 260.337 2.365 10 30 CEEERN CSC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235067138 370555295 /nfs/dbraw/zinc/55/52/95/370555295.db2.gz CUWLROOTWSQQOZ-ZETCQYMHSA-N 0 0 252.299 2.025 10 30 CEEERN N#Cc1nc(NCCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000236420792 370588812 /nfs/dbraw/zinc/58/88/12/370588812.db2.gz FGCQETYZDZGEQJ-UHFFFAOYSA-N 0 0 284.275 2.352 10 30 CEEERN N#Cc1nc(NCC2(O)CCCCCC2)ccc1[N+](=O)[O-] ZINC000236465997 370589922 /nfs/dbraw/zinc/58/99/22/370589922.db2.gz SRDCNNSZPHADTA-UHFFFAOYSA-N 0 0 290.323 2.359 10 30 CEEERN Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@H](CO)CC2)cc1 ZINC000247994835 371153723 /nfs/dbraw/zinc/15/37/23/371153723.db2.gz ASIMZMWFIWAOJZ-HDJSIYSDSA-N 0 0 298.404 2.499 10 30 CEEERN CCOC(=O)C(C)=NNc1ccc([N+](=O)[O-])cc1C ZINC000252571258 371456184 /nfs/dbraw/zinc/45/61/84/371456184.db2.gz XQMQMGLYROKWGF-UHFFFAOYSA-N 0 0 265.269 2.254 10 30 CEEERN S=C1N=NCN1N=Cc1cc(Br)cs1 ZINC000254827354 371540555 /nfs/dbraw/zinc/54/05/55/371540555.db2.gz TYEQHHITESFVRS-UHFFFAOYSA-N 0 0 289.183 2.273 10 30 CEEERN C=CCCC[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000301988946 261344808 /nfs/dbraw/zinc/34/48/08/261344808.db2.gz DZGNULNSXMNGFR-NSHDSACASA-N 0 0 278.377 2.470 10 30 CEEERN O=C(CS)Nc1cc(F)cc(Br)c1 ZINC000306964012 376557593 /nfs/dbraw/zinc/55/75/93/376557593.db2.gz DDWSLBLKWYNDQB-UHFFFAOYSA-N 0 0 264.119 2.457 10 30 CEEERN Cc1cc(N2CCC(n3ccnn3)CC2)c(C#N)c(C)n1 ZINC000302010146 379316477 /nfs/dbraw/zinc/31/64/77/379316477.db2.gz CBKCVFYDNVKYGO-UHFFFAOYSA-N 0 0 282.351 2.003 10 30 CEEERN C[C@H](O)CC(C)(C)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302742086 379442858 /nfs/dbraw/zinc/44/28/58/379442858.db2.gz RMBYIOHYAUAFNR-VIFPVBQESA-N 0 0 278.312 2.070 10 30 CEEERN Cc1ccc(N2CCC(c3cnn(C)c3)CC2)nc1C#N ZINC000302669752 379418008 /nfs/dbraw/zinc/41/80/08/379418008.db2.gz RDIUYHCVDAXLRH-UHFFFAOYSA-N 0 0 281.363 2.379 10 30 CEEERN Cc1ccc(N2CCO[C@@H](c3nccs3)C2)nc1C#N ZINC000302677922 379420710 /nfs/dbraw/zinc/42/07/10/379420710.db2.gz VGYGIZWUYISRLI-GFCCVEGCSA-N 0 0 286.360 2.296 10 30 CEEERN C#CCC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000405528584 542271318 /nfs/dbraw/zinc/27/13/18/542271318.db2.gz SJCJTJIVSBJQKA-NSHDSACASA-N 0 0 251.326 2.226 10 30 CEEERN C#CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405597109 542272521 /nfs/dbraw/zinc/27/25/21/542272521.db2.gz JRFIDUMBHRDVME-GHMZBOCLSA-N 0 0 251.326 2.224 10 30 CEEERN C#CC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000405692086 542273690 /nfs/dbraw/zinc/27/36/90/542273690.db2.gz WLIQJLUXWMMJLW-LLVKDONJSA-N 0 0 251.326 2.226 10 30 CEEERN N#C[C@]1(NC2CC2)CCC[C@@H]1CCSC1COC1 ZINC000093581934 184692378 /nfs/dbraw/zinc/69/23/78/184692378.db2.gz FQEHDOJHZXBJEL-BXUZGUMPSA-N 0 0 266.410 2.323 10 30 CEEERN Cc1ccc(C(=O)[C@@H](C)N2CCO[C@H](C#N)C2)cc1C ZINC000093933366 184745125 /nfs/dbraw/zinc/74/51/25/184745125.db2.gz XMYSNANKTAWZST-UKRRQHHQSA-N 0 0 272.348 2.099 10 30 CEEERN O=C(NC1CCCC1)c1csc(C#CCCO)c1 ZINC000093973554 184747001 /nfs/dbraw/zinc/74/70/01/184747001.db2.gz WHEHZQTVMNTIAK-UHFFFAOYSA-N 0 0 263.362 2.154 10 30 CEEERN CC[C@H]1CCCN1C(=O)c1csc(C#CCO)c1 ZINC000093974199 184747100 /nfs/dbraw/zinc/74/71/00/184747100.db2.gz SLZDQRXXDUVBHZ-LBPRGKRZSA-N 0 0 263.362 2.107 10 30 CEEERN CC1(NC(=O)c2csc(C#CCO)c2)CCCC1 ZINC000093975373 184747141 /nfs/dbraw/zinc/74/71/41/184747141.db2.gz CHMUCWLDUSEDII-UHFFFAOYSA-N 0 0 263.362 2.154 10 30 CEEERN CC1(C)CCC[C@H]1NC(=O)c1csc(C#CCO)c1 ZINC000094331986 184782107 /nfs/dbraw/zinc/78/21/07/184782107.db2.gz GRWBRIBTARTYJQ-CYBMUJFWSA-N 0 0 277.389 2.400 10 30 CEEERN C[C@]1(C(=O)Nc2ccc(C#CCCO)c(F)c2)CCCO1 ZINC000094790767 184864318 /nfs/dbraw/zinc/86/43/18/184864318.db2.gz DOAULZPVZMKFIX-MRXNPFEDSA-N 0 0 291.322 2.067 10 30 CEEERN N#Cc1ccc(N(CCO)C2CCCCC2)cc1N ZINC000094590635 184822613 /nfs/dbraw/zinc/82/26/13/184822613.db2.gz XTVODSHXEIQCOV-UHFFFAOYSA-N 0 0 259.353 2.272 10 30 CEEERN O=C(C[C@@H]1CCCCO1)Nc1ccc(C#CCO)cc1F ZINC000095032708 184919326 /nfs/dbraw/zinc/91/93/26/184919326.db2.gz YRTPZFWEZYZWDA-ZDUSSCGKSA-N 0 0 291.322 2.067 10 30 CEEERN C[C@@H](CC(=O)NCCc1nccs1)N1CCCCC1=O ZINC000330096023 533360904 /nfs/dbraw/zinc/36/09/04/533360904.db2.gz WQFOUUYINLTNAX-NSHDSACASA-N 0 0 295.408 2.433 10 30 CEEERN C[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1O ZINC000305828373 533626112 /nfs/dbraw/zinc/62/61/12/533626112.db2.gz NWQJCSDGBHMEDP-WFASDCNBSA-N 0 0 284.359 2.085 10 30 CEEERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000191181731 130197546 /nfs/dbraw/zinc/19/75/46/130197546.db2.gz GYHZOCLVSMANJS-BXKDBHETSA-N 0 0 262.284 2.451 10 30 CEEERN C=CCS(=O)(=O)N(C)Cc1cccc(Cl)c1 ZINC000263970624 131371502 /nfs/dbraw/zinc/37/15/02/131371502.db2.gz LYFWJXIRVOLAIX-UHFFFAOYSA-N 0 0 259.758 2.288 10 30 CEEERN C[C@@H]1C[C@@H](O)CN(c2ccc(Cl)cc2C#N)C1 ZINC000335239090 134494790 /nfs/dbraw/zinc/49/47/90/134494790.db2.gz QQLJUTFBSKLLIR-BXKDBHETSA-N 0 0 250.729 2.419 10 30 CEEERN C[C@H]1Oc2ccccc2N(CC2(CC#N)CC2)C1=O ZINC000088259620 135053571 /nfs/dbraw/zinc/05/35/71/135053571.db2.gz VXJIMZPSXXGMEA-LLVKDONJSA-N 0 0 256.305 2.494 10 30 CEEERN C#C[C@@](C)(CC)Oc1ncc(Br)cn1 ZINC000306171212 394513960 /nfs/dbraw/zinc/51/39/60/394513960.db2.gz SNMFXZVRIPKLIM-JTQLQIEISA-N 0 0 255.115 2.420 10 30 CEEERN CC1=NS(=O)(=O)c2cccnc2N1c1cccc(C#N)c1 ZINC000065255379 394573845 /nfs/dbraw/zinc/57/38/45/394573845.db2.gz QFAXDGKEQSQRHC-UHFFFAOYSA-N 0 0 298.327 2.212 10 30 CEEERN O=C(C#CBr)N[C@H]1CC12CCCCC2 ZINC000307002882 394519726 /nfs/dbraw/zinc/51/97/26/394519726.db2.gz CPNQJGVOOUNAQG-VIFPVBQESA-N 0 0 256.143 2.181 10 30 CEEERN CC(C)(C)[C@H](O)CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000324550112 394549436 /nfs/dbraw/zinc/54/94/36/394549436.db2.gz VOXNPLDAEDHPMI-LLVKDONJSA-N 0 0 263.297 2.285 10 30 CEEERN N#Cc1c(Cl)nsc1N1CCN2CCCC[C@H]2C1 ZINC000264916549 394642501 /nfs/dbraw/zinc/64/25/01/394642501.db2.gz KWGURUNDTTWMMI-VIFPVBQESA-N 0 0 282.800 2.343 10 30 CEEERN COc1cccc(CCC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000359678583 394771679 /nfs/dbraw/zinc/77/16/79/394771679.db2.gz PWVKBWZZCBSPEW-DZGCQCFKSA-N 0 0 272.348 2.436 10 30 CEEERN CN(C)C(=O)[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000132563854 394933688 /nfs/dbraw/zinc/93/36/88/394933688.db2.gz XRXJIIGRILAPFU-OAHLLOKOSA-N 0 0 290.794 2.244 10 30 CEEERN C=CCOc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000154018362 395020435 /nfs/dbraw/zinc/02/04/35/395020435.db2.gz CVKTWSJGWCWTFP-DOMZBBRYSA-N 0 0 275.348 2.435 10 30 CEEERN COC(=O)c1cc(C(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575343901 395660309 /nfs/dbraw/zinc/66/03/09/395660309.db2.gz JCWAJSKZUUGQPB-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COC(=O)Cc1cc(C#N)cc(C(F)F)c1[N+](=O)[O-] ZINC000575344192 395660321 /nfs/dbraw/zinc/66/03/21/395660321.db2.gz UKLXHUQVJNJNAL-UHFFFAOYSA-N 0 0 270.191 2.120 10 30 CEEERN CCOC(=O)Cc1cc(C=O)cc(Cl)c1C#N ZINC000575382727 395662350 /nfs/dbraw/zinc/66/23/50/395662350.db2.gz ZKBWUZIKLMHCAI-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1ccc(OC)c(C#N)c1Br ZINC000575382998 395662498 /nfs/dbraw/zinc/66/24/98/395662498.db2.gz IDBFOOFJRCUFJT-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)c1c(Br)c(C#N)ccc1[N+](=O)[O-] ZINC000575383431 395662601 /nfs/dbraw/zinc/66/26/01/395662601.db2.gz GFAKYBJWKXJYPJ-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCOC(=O)Cc1cc(C#N)cc(F)c1OC(F)F ZINC000575385640 395662761 /nfs/dbraw/zinc/66/27/61/395662761.db2.gz ADNGUTWDPNCYAG-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)Cc1ccc(F)c(OC(F)F)c1C#N ZINC000575385795 395663035 /nfs/dbraw/zinc/66/30/35/395663035.db2.gz LRCCKQJZFPZQJD-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)c1cc(C=O)cc(C#N)c1OC(F)F ZINC000575385977 395663075 /nfs/dbraw/zinc/66/30/75/395663075.db2.gz REJDEAAZZWHVJA-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(OC(F)F)c1O ZINC000575386008 395663079 /nfs/dbraw/zinc/66/30/79/395663079.db2.gz UGCJXAQONAOVGU-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(C(F)F)c(CO)c1 ZINC000575388107 395663351 /nfs/dbraw/zinc/66/33/51/395663351.db2.gz WLQVVWNYYPIWHL-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)Cc1cc(C=O)c(C(F)F)cc1C#N 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169861254 /nfs/dbraw/zinc/86/12/54/169861254.db2.gz FTDBUWSLLVRZCS-UHFFFAOYSA-N 0 0 297.351 2.018 10 30 CEEERN C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000005179068 170074049 /nfs/dbraw/zinc/07/40/49/170074049.db2.gz XUDSQIDNHJMBBW-FOWTUZBSSA-N 0 0 276.336 2.276 10 30 in-man CEEERN C#C[C@@H]([C@@H](O)c1ccccc1)n1nnc2ccccc21 ZINC000005282274 170082504 /nfs/dbraw/zinc/08/25/04/170082504.db2.gz URZZMIAYCWMYJD-HOCLYGCPSA-N 0 0 263.300 2.339 10 30 CEEERN O=C(COc1ccc(Cl)cc1Cl)NCCS ZINC000005889266 170150946 /nfs/dbraw/zinc/15/09/46/170150946.db2.gz ZKLFUOFLXGWIIY-UHFFFAOYSA-N 0 0 280.176 2.418 10 30 in-vitro CEEERN CCCOc1ccc(/C=N/NC(=S)NCC)cc1 ZINC000006138797 170179037 /nfs/dbraw/zinc/17/90/37/170179037.db2.gz XXNBZKXKYSXYSK-XNTDXEJSSA-N 0 0 265.382 2.293 10 30 CEEERN CC(C)(C)N=C(NC#N)Nc1cncc(Br)c1 ZINC000013232463 170541040 /nfs/dbraw/zinc/54/10/40/170541040.db2.gz IKQBUILEMPVYFM-UHFFFAOYSA-N 0 0 296.172 2.481 10 30 CEEERN Cn1ccnc1SCCC(=O)Nc1ccc(C#N)cc1 ZINC000019847542 170896836 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/nfs/dbraw/zinc/66/36/95/395663695.db2.gz JFMYVXIJHITHLH-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN CCOC(=O)c1c(C=O)ccc(C(F)F)c1C#N ZINC000575389447 395664082 /nfs/dbraw/zinc/66/40/82/395664082.db2.gz IKOIEDIAFJKEJT-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN C[C@@H](COCc1ccccc1)NC(=O)c1ccnc(C#N)c1 ZINC000193380705 153230485 /nfs/dbraw/zinc/23/04/85/153230485.db2.gz NZRDADNGVKXIEG-ZDUSSCGKSA-N 0 0 295.342 2.288 10 30 CEEERN Cn1cnnc1-c1cncc(NCc2ccc(C#N)s2)c1 ZINC000180251946 165301754 /nfs/dbraw/zinc/30/17/54/165301754.db2.gz IVHKAWRHPQFWKZ-UHFFFAOYSA-N 0 0 296.359 2.422 10 30 CEEERN N#CCc1nc2ccccc2n1C(=O)c1cccnc1 ZINC000005588888 170116718 /nfs/dbraw/zinc/11/67/18/170116718.db2.gz HVNVVCWSGWBXTQ-UHFFFAOYSA-N 0 0 262.272 2.186 10 30 CEEERN C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccco2)C1 ZINC000008298160 170329636 /nfs/dbraw/zinc/32/96/36/170329636.db2.gz ZUECKJAVHWYLHC-SDBXPKJASA-N 0 0 270.292 2.139 10 30 CEEERN C=CCNC(=S)NC(=O)c1cccc(Cl)c1 ZINC000008554561 170340161 /nfs/dbraw/zinc/34/01/61/170340161.db2.gz UECCVPVDDFBCOK-UHFFFAOYSA-N 0 0 254.742 2.130 10 30 CEEERN COCCNC(=S)NN=Cc1c(C)[nH]c2ccccc21 ZINC000008690503 170346018 /nfs/dbraw/zinc/34/60/18/170346018.db2.gz LLBSGYFIIBOFIV-CXUHLZMHSA-N 0 0 290.392 2.332 10 30 CEEERN N#CCc1nc2ccccc2n1CC(=O)NC1CCCC1 ZINC000009941298 170391386 /nfs/dbraw/zinc/39/13/86/170391386.db2.gz CORVAYMJXNGNIH-UHFFFAOYSA-N 0 0 282.347 2.161 10 30 CEEERN COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1N ZINC000019258893 170760886 /nfs/dbraw/zinc/76/08/86/170760886.db2.gz UXNBOUFGGHQZNZ-UHFFFAOYSA-N 0 0 267.288 2.401 10 30 CEEERN N/C(=N\O)c1cccc(COc2ccccc2F)c1 ZINC000019422295 170792926 /nfs/dbraw/zinc/79/29/26/170792926.db2.gz YRGXIJQPCQVZSV-UHFFFAOYSA-N 0 0 260.268 2.499 10 30 CEEERN CCOC(=O)CN[C@H](C#N)c1ccccc1Cl ZINC000020173798 171041553 /nfs/dbraw/zinc/04/15/53/171041553.db2.gz BZHIXARWXYFLCQ-LLVKDONJSA-N 0 0 252.701 2.057 10 30 CEEERN C[C@H](C#N)CS(=O)(=O)c1ccc(Br)cc1 ZINC000020223329 171086119 /nfs/dbraw/zinc/08/61/19/171086119.db2.gz GUTMHKQKFIYDCF-MRVPVSSYSA-N 0 0 288.166 2.382 10 30 CEEERN C/C(=N\O)c1ccccc1O[C@@H](C)C(=O)NC(C)C ZINC000020422060 171188273 /nfs/dbraw/zinc/18/82/73/171188273.db2.gz FCGQSASEPJPGTL-YAFRSCOQSA-N 0 0 264.325 2.177 10 30 CEEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CC ZINC000035144443 172010001 /nfs/dbraw/zinc/01/00/01/172010001.db2.gz HGAPNXDSHOJBKZ-UHFFFAOYSA-N 0 0 257.337 2.291 10 30 CEEERN C=CCNC(=O)COc1c(Cl)cc(Cl)cc1C=O ZINC000035662390 172340674 /nfs/dbraw/zinc/34/06/74/172340674.db2.gz UXODIQNZMVAPMD-UHFFFAOYSA-N 0 0 288.130 2.487 10 30 CEEERN N#CCOc1ccccc1NC(=O)c1ccncc1 ZINC000036682142 172652601 /nfs/dbraw/zinc/65/26/01/172652601.db2.gz SXRKNXOKJPICEK-UHFFFAOYSA-N 0 0 253.261 2.236 10 30 CEEERN CC(C)C[C@H](C)NS(=O)(=O)Cc1ccccc1C#N ZINC000037265303 173074039 /nfs/dbraw/zinc/07/40/39/173074039.db2.gz WBXFHZHFLHCCNG-LBPRGKRZSA-N 0 0 280.393 2.412 10 30 CEEERN N#Cc1cccc(-c2nnc3cc(Cl)ncn32)c1 ZINC000037325222 173125916 /nfs/dbraw/zinc/12/59/16/173125916.db2.gz LRORNKRGLBJKJO-UHFFFAOYSA-N 0 0 255.668 2.316 10 30 CEEERN CC(C)CN(CCC#N)C(=O)[C@@H]1CNc2ccccc2O1 ZINC000037495515 173234676 /nfs/dbraw/zinc/23/46/76/173234676.db2.gz ISVGNCOSTWNGQO-HNNXBMFYSA-N 0 0 287.363 2.258 10 30 CEEERN O=C(Cc1ccsc1)Nc1ccc(C#CCO)cc1 ZINC000037548504 173265299 /nfs/dbraw/zinc/26/52/99/173265299.db2.gz SAIYQYOUUXJGAZ-UHFFFAOYSA-N 0 0 271.341 2.273 10 30 CEEERN N#C[C@]1(NCc2cccs2)COc2cc(O)ccc21 ZINC000037939596 173878936 /nfs/dbraw/zinc/87/89/36/173878936.db2.gz CGTRZRWARVSCJO-AWEZNQCLSA-N 0 0 272.329 2.355 10 30 CEEERN CC(=O)O[C@@H](C#N)CC[P@](C)(=O)OCC(C)C ZINC000038634229 174150066 /nfs/dbraw/zinc/15/00/66/174150066.db2.gz ZVLFTEXTYRDTHR-PIGZYNQJSA-N 0 0 261.258 2.412 10 30 CEEERN COc1cc(OC)c(C2=CC(=O)C[C@@](C)(O)C2)cc1OC ZINC000040174982 174200819 /nfs/dbraw/zinc/20/08/19/174200819.db2.gz KAYZKEAEXUEVAS-INIZCTEOSA-N 0 0 292.331 2.210 10 30 CEEERN Cc1cc(C)c(C#N)c(-n2cc(Br)c(N)n2)n1 ZINC000040517084 174307305 /nfs/dbraw/zinc/30/73/05/174307305.db2.gz PLYBBGGNBTWVEG-UHFFFAOYSA-N 0 0 292.140 2.101 10 30 CEEERN CN(C(=O)c1ccc(Cl)nn1)C1(C#N)CCCCC1 ZINC000040690628 174377012 /nfs/dbraw/zinc/37/70/12/174377012.db2.gz GIMFWDBXKRRKEB-UHFFFAOYSA-N 0 0 278.743 2.428 10 30 CEEERN N#Cc1ccc(CS(=O)(=O)c2ccccc2N)c(F)c1 ZINC000042191985 174654784 /nfs/dbraw/zinc/65/47/84/174654784.db2.gz DIJOMLUVXFTBHP-UHFFFAOYSA-N 0 0 290.319 2.253 10 30 CEEERN CC(C)C[C@@H](C)N(C)C(=O)c1cncc(C#CCCO)c1 ZINC000042597812 174815193 /nfs/dbraw/zinc/81/51/93/174815193.db2.gz SWWAJJWFQAOQHB-CQSZACIVSA-N 0 0 288.391 2.322 10 30 CEEERN Cc1nnc(N(CC(F)(F)F)C2CC2)c(C#N)c1C ZINC000042780601 174876465 /nfs/dbraw/zinc/87/64/65/174876465.db2.gz OJSDKTLNJAPADN-UHFFFAOYSA-N 0 0 270.258 2.496 10 30 CEEERN COc1ccc(O)c(C(=O)Nc2ccc(N)cc2C#N)c1 ZINC000043327739 175009197 /nfs/dbraw/zinc/00/91/97/175009197.db2.gz LSNGUJWXAQSLPU-UHFFFAOYSA-N 0 0 283.287 2.107 10 30 CEEERN Cc1ccc(C#N)c(-n2cc(Br)cn2)n1 ZINC000043396138 175036433 /nfs/dbraw/zinc/03/64/33/175036433.db2.gz YMBUAAMIUCJQOO-UHFFFAOYSA-N 0 0 263.098 2.210 10 30 CEEERN CCOC(=O)CN(c1nc(C)ccc1C#N)C(C)C ZINC000043399837 175036834 /nfs/dbraw/zinc/03/68/34/175036834.db2.gz HRUABHCZGQOZQG-UHFFFAOYSA-N 0 0 261.325 2.040 10 30 CEEERN CC[C@H]1CN(Cc2ccc(C#CCCO)s2)CCO1 ZINC000043679696 175090192 /nfs/dbraw/zinc/09/01/92/175090192.db2.gz UBZIVHXBSTYYAJ-ZDUSSCGKSA-N 0 0 279.405 2.093 10 30 CEEERN OCC#Cc1csc(Cn2ccc(C(F)(F)F)n2)c1 ZINC000043698929 175096911 /nfs/dbraw/zinc/09/69/11/175096911.db2.gz JZMBQRBJOSVCSP-UHFFFAOYSA-N 0 0 286.278 2.356 10 30 CEEERN O=C1CCCCCN1Cc1cc(C#CCCO)cs1 ZINC000043698823 175096938 /nfs/dbraw/zinc/09/69/38/175096938.db2.gz UXWPQGPDBHWYQH-UHFFFAOYSA-N 0 0 277.389 2.385 10 30 CEEERN CN(Cc1cnn(C)c1)C(=O)C1(C#N)CCCCCC1 ZINC000044766312 175249355 /nfs/dbraw/zinc/24/93/55/175249355.db2.gz GDEZVASIGQFSDO-UHFFFAOYSA-N 0 0 274.368 2.243 10 30 CEEERN N#C[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1 ZINC000044808974 175257564 /nfs/dbraw/zinc/25/75/64/175257564.db2.gz RCEIFMADTOMBGP-CYBMUJFWSA-N 0 0 251.289 2.403 10 30 CEEERN COc1cccc(CN(C)C(=O)[C@@H](C#N)C(C)C)c1 ZINC000044824312 175259299 /nfs/dbraw/zinc/25/92/99/175259299.db2.gz NPFQAXNRRBTHOZ-AWEZNQCLSA-N 0 0 260.337 2.449 10 30 CEEERN CC(C)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000044826089 175259388 /nfs/dbraw/zinc/25/93/88/175259388.db2.gz PMCLFFAHMJYKFY-SNVBAGLBSA-N 0 0 252.264 2.377 10 30 CEEERN CCC[C@H](C#N)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000044827845 175259733 /nfs/dbraw/zinc/25/97/33/175259733.db2.gz UTGKQWWNSWGRRD-AGIUHOORSA-N 0 0 250.342 2.096 10 30 CEEERN CC(C)[C@@H](C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000044827912 175259918 /nfs/dbraw/zinc/25/99/18/175259918.db2.gz SKJDHMDYZVTXOE-SECBINFHSA-N 0 0 265.244 2.468 10 30 CEEERN CN[C@](C)(C#N)CN1CCC(Cc2ccccc2)CC1 ZINC000045175738 175323547 /nfs/dbraw/zinc/32/35/47/175323547.db2.gz CTRDCMPHAOGKPR-QGZVFWFLSA-N 0 0 271.408 2.443 10 30 CEEERN CCCN(CC1CC1)C[C@](N)(C#N)c1ccccc1 ZINC000045182158 175325290 /nfs/dbraw/zinc/32/52/90/175325290.db2.gz MZVYZNFOOSFQTL-MRXNPFEDSA-N 0 0 257.381 2.486 10 30 CEEERN CCc1c(C)nn(CC[C@@](C)(C#N)NC2CC2)c1C ZINC000045207140 175328143 /nfs/dbraw/zinc/32/81/43/175328143.db2.gz NUMIQNPRMACVTC-HNNXBMFYSA-N 0 0 260.385 2.487 10 30 CEEERN CCCCOCCOCC[C@@](C)(C#N)NC1CC1 ZINC000045207606 175328694 /nfs/dbraw/zinc/32/86/94/175328694.db2.gz HARMHHRJQUXQDY-AWEZNQCLSA-N 0 0 254.374 2.244 10 30 CEEERN CCCN[C@@](C)(C#N)CCOC[C@H]1CCCCO1 ZINC000045208413 175328695 /nfs/dbraw/zinc/32/86/95/175328695.db2.gz HGQHTRIFUJSVBY-ZIAGYGMSSA-N 0 0 254.374 2.244 10 30 CEEERN CC(C)N[C@](C)(C#N)COc1ccc2c(c1)CCC(=O)N2 ZINC000045209829 175328853 /nfs/dbraw/zinc/32/88/53/175328853.db2.gz BLYVKWFEWGHRHM-MRXNPFEDSA-N 0 0 287.363 2.230 10 30 CEEERN Cc1nc(C)n(C[C@@](C#N)(NC(C)C)c2ccccc2)n1 ZINC000045207163 175328980 /nfs/dbraw/zinc/32/89/80/175328980.db2.gz JQWGUKWQTAWSRV-MRXNPFEDSA-N 0 0 283.379 2.312 10 30 CEEERN CC(C)N[C@@](C)(C#N)CSc1nnc2n1CCCCC2 ZINC000045218677 175330138 /nfs/dbraw/zinc/33/01/38/175330138.db2.gz NOZIPQJRTDDEEN-AWEZNQCLSA-N 0 0 293.440 2.377 10 30 CEEERN CCCCOCCOCCC[C@](C)(C#N)NCC ZINC000045324166 175359591 /nfs/dbraw/zinc/35/95/91/175359591.db2.gz LOZWJGLHWMKNHB-CQSZACIVSA-N 0 0 256.390 2.492 10 30 CEEERN CN[C@@](C)(C#N)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000045326986 175359673 /nfs/dbraw/zinc/35/96/73/175359673.db2.gz AEKGFENSDZVAJK-MRXNPFEDSA-N 0 0 287.363 2.232 10 30 CEEERN CCCN[C@@](C)(C#N)Cn1cc(C(F)(F)F)cn1 ZINC000070467368 175947004 /nfs/dbraw/zinc/94/70/04/175947004.db2.gz ZGYIXENDNOKTQV-JTQLQIEISA-N 0 0 260.263 2.184 10 30 CEEERN CC(=O)Nc1cccc([C@@H](C)Nc2cnc(C#N)cn2)c1 ZINC000071177840 176055641 /nfs/dbraw/zinc/05/56/41/176055641.db2.gz IFXSLVXQRDOTTH-SNVBAGLBSA-N 0 0 281.319 2.480 10 30 CEEERN C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1C#CCO ZINC000071210883 176082772 /nfs/dbraw/zinc/08/27/72/176082772.db2.gz OUWHKVLKSDGGLA-IAQYHMDHSA-N 0 0 275.323 2.088 10 30 CEEERN C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#CCCO)ccc1F ZINC000071210905 176082866 /nfs/dbraw/zinc/08/28/66/176082866.db2.gz WCVKDIBGOFKQPH-WBMJQRKESA-N 0 0 289.350 2.478 10 30 CEEERN C[C@H]1CCC[C@H]1NC(=O)c1ccc(C#CCCO)c(F)c1 ZINC000071210960 176083276 /nfs/dbraw/zinc/08/32/76/176083276.db2.gz FUTZOPKBTFGSFN-BLLLJJGKSA-N 0 0 289.350 2.478 10 30 CEEERN COCCN(CCC#N)C(=O)c1ccc(Cl)cc1OC ZINC000071230008 176091475 /nfs/dbraw/zinc/09/14/75/176091475.db2.gz UUBGVXSVRQNQCC-UHFFFAOYSA-N 0 0 296.754 2.351 10 30 CEEERN COCCN(CCC#N)C(=O)C1(c2ccccc2)CC1 ZINC000071229829 176091605 /nfs/dbraw/zinc/09/16/05/176091605.db2.gz FAOJTOVPBNZXTR-UHFFFAOYSA-N 0 0 272.348 2.107 10 30 CEEERN COCCN(CCC#N)C(=O)c1ccccc1OC(F)F ZINC000071229913 176091693 /nfs/dbraw/zinc/09/16/93/176091693.db2.gz JAMSBKYSEYBFFZ-UHFFFAOYSA-N 0 0 298.289 2.290 10 30 CEEERN C#CCn1c(SC)nc2sc(CC)cc2c1=O ZINC000071513369 176192789 /nfs/dbraw/zinc/19/27/89/176192789.db2.gz XYSUEHUTQANXFV-UHFFFAOYSA-N 0 0 264.375 2.376 10 30 CEEERN C=CCN(C[C@@H](C)C(=O)OC)C(=O)c1ccccc1 ZINC000071606981 176230499 /nfs/dbraw/zinc/23/04/99/176230499.db2.gz XHPSOCASSVORJJ-GFCCVEGCSA-N 0 0 261.321 2.124 10 30 CEEERN COCCN1C(=O)c2c(cccc2Cl)C1C#N ZINC000071678881 176243716 /nfs/dbraw/zinc/24/37/16/176243716.db2.gz CXLQWOPEFQWCPL-JTQLQIEISA-N 0 0 250.685 2.007 10 30 CEEERN N#CCCN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O ZINC000072414055 176399013 /nfs/dbraw/zinc/39/90/13/176399013.db2.gz GUNHCKRSXNUCLW-FLIBITNWSA-N 0 0 274.301 2.342 10 30 CEEERN C=CC[C@@H]1CCC[N@@H+](Cc2oncc2C(=O)[O-])C1 ZINC000656760233 415844569 /nfs/dbraw/zinc/84/45/69/415844569.db2.gz SAGCVFJMBKWNPL-SNVBAGLBSA-N 0 0 250.298 2.161 10 30 CEEERN Cc1nc(C)c(CCNC(=O)c2cccc(C#N)c2)o1 ZINC000074802079 176616575 /nfs/dbraw/zinc/61/65/75/176616575.db2.gz FCCUKNNFQLOFCD-UHFFFAOYSA-N 0 0 269.304 2.136 10 30 CEEERN Cc1nc(CNCc2cc(C#N)n(C)c2C)cs1 ZINC000075820834 176795353 /nfs/dbraw/zinc/79/53/53/176795353.db2.gz HDSJYAJUESLOBU-UHFFFAOYSA-N 0 0 260.366 2.260 10 30 CEEERN C[C@H]1CCC(=O)N(CC(=O)c2ccc(C#N)cc2)CC1 ZINC000079247272 177456523 /nfs/dbraw/zinc/45/65/23/177456523.db2.gz IJKPXMJXZQIBBQ-LBPRGKRZSA-N 0 0 270.332 2.390 10 30 CEEERN C[C@@H]1CCC(=O)N(Cc2ccccc2C#CCO)CC1 ZINC000079247603 177456550 /nfs/dbraw/zinc/45/65/50/177456550.db2.gz BOQGGTZCPOLXPA-CQSZACIVSA-N 0 0 271.360 2.179 10 30 CEEERN C[C@H]1CC(CNC(=O)C2(C#N)CCCC2)C[C@H](C)O1 ZINC000335295540 226236947 /nfs/dbraw/zinc/23/69/47/226236947.db2.gz TZKJARNDKBNZRT-RYUDHWBXSA-N 0 0 264.369 2.390 10 30 CEEERN O=C(C[C@@H]1CCCCNC1=O)NCc1ncccc1O ZINC000329265721 227395261 /nfs/dbraw/zinc/39/52/61/227395261.db2.gz CLEVUDIQYLEWHY-JTQLQIEISA-N 0 0 277.324 2.390 10 30 CEEERN C[C@H](CC#N)N(C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000161929016 261263531 /nfs/dbraw/zinc/26/35/31/261263531.db2.gz NCMABVONXXHKNN-DOMZBBRYSA-N 0 0 296.798 2.451 10 30 CEEERN C[C@@H](C#N)N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000109445355 261396009 /nfs/dbraw/zinc/39/60/09/261396009.db2.gz WTHWBRCWYKYPNE-HNNXBMFYSA-N 0 0 285.391 2.066 10 30 CEEERN C=CC[C@@H]1N(S(=O)(=O)N2CCC2)CCCC1(C)C ZINC000334446716 263631631 /nfs/dbraw/zinc/63/16/31/263631631.db2.gz PVLNRECIDMRXCY-LBPRGKRZSA-N 0 0 272.414 2.004 10 30 CEEERN C[C@H](CC1CC1)NC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328845509 263879170 /nfs/dbraw/zinc/87/91/70/263879170.db2.gz XFNMJBYWCAERRN-SECBINFHSA-N 0 0 273.398 2.487 10 30 CEEERN C[C@H]1CC[C@@H](O)CN1c1ncc(Br)cc1C#N ZINC000399243893 267222061 /nfs/dbraw/zinc/22/20/61/267222061.db2.gz HVFCZSOFGPLZPR-GZMMTYOYSA-N 0 0 296.168 2.065 10 30 CEEERN C#C[C@H](C)NC(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000185344151 277706983 /nfs/dbraw/zinc/70/69/83/277706983.db2.gz BMZNIXNXOTYJBN-BLLLJJGKSA-N 0 0 294.395 2.304 10 30 CEEERN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)NO)o1 ZINC000226290074 281015657 /nfs/dbraw/zinc/01/56/57/281015657.db2.gz NQDQTLWBTNFBJW-UHFFFAOYSA-N 0 0 262.221 2.282 10 30 CEEERN C[C@H](C#N)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000335117024 297957576 /nfs/dbraw/zinc/95/75/76/297957576.db2.gz BLIRYIKKFGYKOE-ZIAGYGMSSA-N 0 0 275.396 2.013 10 30 CEEERN C[Si](C)(C)C#Cc1cc(Br)c[nH]c1=O ZINC000200795625 300888232 /nfs/dbraw/zinc/88/82/32/300888232.db2.gz CWJBILVEZPRBPJ-UHFFFAOYSA-N 0 0 270.202 2.366 10 30 CEEERN O=C(N[C@@H]1COc2ccccc21)c1cc2n(n1)CCCO2 ZINC000330295469 303513237 /nfs/dbraw/zinc/51/32/37/303513237.db2.gz JJEVOAQXCPYNKU-GFCCVEGCSA-N 0 0 285.303 2.104 10 30 CEEERN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]21 ZINC000532419775 313347731 /nfs/dbraw/zinc/34/77/31/313347731.db2.gz ZLSJUGNIUIBBNW-QWHCGFSZSA-N 0 0 276.361 2.040 10 30 CEEERN CC/N=C1/SCC(=O)N1c1ccc(OC)cc1 ZINC000012402014 326832170 /nfs/dbraw/zinc/83/21/70/326832170.db2.gz KQUWYMVYWMZZDY-OUKQBFOZSA-N 0 0 250.323 2.151 10 30 CEEERN CC(C)CCN(CCC#N)Cc1nnnn1C(C)C ZINC000173543165 329148959 /nfs/dbraw/zinc/14/89/59/329148959.db2.gz HDUZIBGDEZNBGJ-UHFFFAOYSA-N 0 0 264.377 2.016 10 30 CEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177155178 329180653 /nfs/dbraw/zinc/18/06/53/329180653.db2.gz PZIVFWVNIATNCV-DZGCQCFKSA-N 0 0 291.395 2.164 10 30 CEEERN N#CCCCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178686373 329202216 /nfs/dbraw/zinc/20/22/16/329202216.db2.gz DEOWOSYJPLMWJA-UKRRQHHQSA-N 0 0 279.384 2.017 10 30 CEEERN CC[C@H](CC#N)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000183843905 329253309 /nfs/dbraw/zinc/25/33/09/329253309.db2.gz SDXZEGCQSSPSQJ-VXGBXAGGSA-N 0 0 288.351 2.005 10 30 CEEERN C[C@@H](CS(=O)(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000167041563 331307851 /nfs/dbraw/zinc/30/78/51/331307851.db2.gz MLGVUBHHSKBCAJ-LBPRGKRZSA-N 0 0 280.393 2.259 10 30 CEEERN C=C(C)COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172728217 332943033 /nfs/dbraw/zinc/94/30/33/332943033.db2.gz KBXFUFJLSBQVKQ-LLVKDONJSA-N 0 0 269.341 2.363 10 30 CEEERN C#C[C@H](C)OC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000249121267 334328296 /nfs/dbraw/zinc/32/82/96/334328296.db2.gz HOHXFTGNDAGDTB-QJPTWQEYSA-N 0 0 281.352 2.245 10 30 CEEERN CC[C@@H](CC#N)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000183960762 333123932 /nfs/dbraw/zinc/12/39/32/333123932.db2.gz WRYMVPRYEXZRTA-NEPJUHHUSA-N 0 0 295.383 2.052 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1Cc2ccccc2C1 ZINC000236407171 333373481 /nfs/dbraw/zinc/37/34/81/333373481.db2.gz IMRWMXGRQGLVFR-HIFRSBDPSA-N 0 0 254.333 2.210 10 30 CEEERN C#C[C@H](C)OC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000153264288 334578442 /nfs/dbraw/zinc/57/84/42/334578442.db2.gz HOHXFTGNDAGDTB-SRVKXCTJSA-N 0 0 281.352 2.245 10 30 CEEERN CC(C)N[C@@](C#N)(CN1C[C@@H](C)OC(C)(C)C1)C1CC1 ZINC000069081329 519735169 /nfs/dbraw/zinc/73/51/69/519735169.db2.gz IDCOUEUSSOHAOU-CJNGLKHVSA-N 0 0 279.428 2.156 10 30 CEEERN CC(C)N[C@H](C#N)CCn1ccc(C(F)(F)F)n1 ZINC000062440611 519738163 /nfs/dbraw/zinc/73/81/63/519738163.db2.gz HAFKDOZCSJGCPO-VIFPVBQESA-N 0 0 260.263 2.182 10 30 CEEERN CC(C)N[C@H](C#N)CCOc1cccc([N+](=O)[O-])c1 ZINC000062448437 519738166 /nfs/dbraw/zinc/73/81/66/519738166.db2.gz WCNARSJKJDDXMY-NSHDSACASA-N 0 0 263.297 2.254 10 30 CEEERN CC(C)N[C@](C#N)(Cn1cc(Cl)cn1)C1CC1 ZINC000069084325 519739122 /nfs/dbraw/zinc/73/91/22/519739122.db2.gz DUJMEWAKKBWIMW-GFCCVEGCSA-N 0 0 252.749 2.207 10 30 CEEERN CCCN[C@@H](C#N)CCn1nc(C)c(Cl)c1C ZINC000062440846 519983520 /nfs/dbraw/zinc/98/35/20/519983520.db2.gz IYOGUUBPRPFBPS-LLVKDONJSA-N 0 0 254.765 2.435 10 30 CEEERN CCCNc1snnc1CN(CC)C[C@@H](C)C#N ZINC000050817226 520201491 /nfs/dbraw/zinc/20/14/91/520201491.db2.gz CDFWNFINZUQZJL-JTQLQIEISA-N 0 0 267.402 2.342 10 30 CEEERN CCN(C[C@H](C)C#N)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455644 521236446 /nfs/dbraw/zinc/23/64/46/521236446.db2.gz YWBPERFGUYXSMF-SSDOTTSWSA-N 0 0 269.692 2.024 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N[C@H](C(=O)OC)C(C)C ZINC000044822633 517552720 /nfs/dbraw/zinc/55/27/20/517552720.db2.gz FXNJMOJFWOINGI-LBPRGKRZSA-N 0 0 282.384 2.410 10 30 CEEERN C#CCN[C@](C)(CCc1ccccc1)C(=O)OCC ZINC000051965245 518293075 /nfs/dbraw/zinc/29/30/75/518293075.db2.gz DDZDPWYCKDLDHI-MRXNPFEDSA-N 0 0 259.349 2.164 10 30 CEEERN C#CCN[C@H](C(=O)OC)c1ccc(C(C)(C)C)cc1 ZINC000051964089 518292150 /nfs/dbraw/zinc/29/21/50/518292150.db2.gz XCWKGCZETYMTJZ-AWEZNQCLSA-N 0 0 259.349 2.421 10 30 CEEERN C#CCN[C@@H](C(=O)OCC)c1ccc2ncccc2c1 ZINC000069503602 518292228 /nfs/dbraw/zinc/29/22/28/518292228.db2.gz HMMRMHWXRHMHMR-OAHLLOKOSA-N 0 0 268.316 2.062 10 30 CEEERN C=CCNC(=O)C[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000062617856 518900044 /nfs/dbraw/zinc/90/00/44/518900044.db2.gz HXUVLDRZYAAVIQ-LBPRGKRZSA-N 0 0 275.348 2.426 10 30 CEEERN C=CCN[C@@](C)(C(=O)OC)c1ccc(F)c(F)c1 ZINC000051961376 518959843 /nfs/dbraw/zinc/95/98/43/518959843.db2.gz MYFJISWQQHJFLV-CYBMUJFWSA-N 0 0 255.264 2.129 10 30 CEEERN C=CCN[C@H](C#N)c1ccc(OC)c(OC)c1OC ZINC000051960096 518959942 /nfs/dbraw/zinc/95/99/42/518959942.db2.gz AAJMIHQPQDTSSG-LLVKDONJSA-N 0 0 262.309 2.053 10 30 CEEERN C=CCOc1ccccc1-c1cc(C(=O)NCC)nc(N)n1 ZINC000066138517 519064531 /nfs/dbraw/zinc/06/45/31/519064531.db2.gz AUWGPADRURQMDK-UHFFFAOYSA-N 0 0 298.346 2.040 10 30 CEEERN CC(C)Cn1ccnc(NCc2ccc(C#N)cc2)c1=O ZINC000061763576 519519011 /nfs/dbraw/zinc/51/90/11/519519011.db2.gz BWMIIBMEMZNHDZ-UHFFFAOYSA-N 0 0 282.347 2.383 10 30 CEEERN CC(C)CCC[C@H](C)NC(=O)c1cncc(C#CCO)c1 ZINC000049628844 519648139 /nfs/dbraw/zinc/64/81/39/519648139.db2.gz WMBOENSWJMQJEE-AWEZNQCLSA-N 0 0 288.391 2.370 10 30 CEEERN CC(C)N[C@@](C#N)(CSc1cnccn1)C1CC1 ZINC000069094744 519735823 /nfs/dbraw/zinc/73/58/23/519735823.db2.gz CSYUOIDDAZHKMI-ZDUSSCGKSA-N 0 0 262.382 2.239 10 30 CEEERN CC(C)N[C@](C#N)(CN(C)C[C@@H]1CCCCO1)C1CC1 ZINC000069079353 519738760 /nfs/dbraw/zinc/73/87/60/519738760.db2.gz STJAXKSHYLKGKX-JKSUJKDBSA-N 0 0 279.428 2.158 10 30 CEEERN CC(C)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000051017900 519788602 /nfs/dbraw/zinc/78/86/02/519788602.db2.gz HQBZRCPXZQMATI-LLVKDONJSA-N 0 0 252.264 2.377 10 30 CEEERN CC(C)n1cc(NC(=O)c2ccc(C#CCO)s2)cn1 ZINC000061684412 519966016 /nfs/dbraw/zinc/96/60/16/519966016.db2.gz HEJWIYRXVQMMQV-UHFFFAOYSA-N 0 0 289.360 2.122 10 30 CEEERN CCN[C@@](C#N)(CN(CC(F)(F)F)C1CC1)C1CC1 ZINC000069079154 520125526 /nfs/dbraw/zinc/12/55/26/520125526.db2.gz QONTVHCPVGNHJZ-LBPRGKRZSA-N 0 0 275.318 2.295 10 30 CEEERN CCN[C@@](C#N)(CN1CCN(C)c2ccccc21)C1CC1 ZINC000069083965 520126866 /nfs/dbraw/zinc/12/68/66/520126866.db2.gz NFHKEZHFPKOPEQ-KRWDZBQOSA-N 0 0 284.407 2.225 10 30 CEEERN CCN[C@@](C)(C#N)C[C@@H](C)Sc1ncnc2[nH]cnc21 ZINC000068626101 520130656 /nfs/dbraw/zinc/13/06/56/520130656.db2.gz FVEGEPJEVNTMBB-NOZJJQNGSA-N 0 0 290.396 2.115 10 30 CEEERN CCCNc1ccc(S(=O)(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000050670660 520165523 /nfs/dbraw/zinc/16/55/23/520165523.db2.gz FVRKPWDKKDYONN-LBPRGKRZSA-N 0 0 295.408 2.289 10 30 CEEERN CCN(CC(=O)N(C)CCC#N)c1ccc(C)cc1 ZINC000049986529 520304352 /nfs/dbraw/zinc/30/43/52/520304352.db2.gz LSHQTUFQELDNRC-UHFFFAOYSA-N 0 0 259.353 2.193 10 30 CEEERN CCNc1cnc(C(C)C)nc1C(=O)N(C)C[C@@H](C)C#N ZINC000050775831 520349191 /nfs/dbraw/zinc/34/91/91/520349191.db2.gz XAOWSNJBGCVWKS-NSHDSACASA-N 0 0 289.383 2.263 10 30 CEEERN CC[N@H+](CCOc1ccc(C#N)cc1)C(C)(C)C(=O)[O-] ZINC000061177740 521150516 /nfs/dbraw/zinc/15/05/16/521150516.db2.gz XFFDJZLWLJHGGW-UHFFFAOYSA-N 0 0 276.336 2.122 10 30 CEEERN CCC(C#N)(CC)C(=O)N[C@@H](C(=O)OC)c1ccccc1 ZINC000050512659 521262390 /nfs/dbraw/zinc/26/23/90/521262390.db2.gz KYXYUNMOMVCEPT-CYBMUJFWSA-N 0 0 288.347 2.347 10 30 CEEERN CCC(C)(C)C(=O)NCc1cccc(C#CCO)c1 ZINC000054403946 521269203 /nfs/dbraw/zinc/26/92/03/521269203.db2.gz JHGIZGGITDZMAW-UHFFFAOYSA-N 0 0 259.349 2.083 10 30 CEEERN CCN(Cc1nc(N)ccc1Cl)C[C@@H](C)C#N ZINC000061638779 521450934 /nfs/dbraw/zinc/45/09/34/521450934.db2.gz UILRRUIOTNRMRL-VIFPVBQESA-N 0 0 252.749 2.299 10 30 CEEERN CCN(Cc1nc(N)ccc1Cl)C[C@H](C)C#N ZINC000061638780 521452746 /nfs/dbraw/zinc/45/27/46/521452746.db2.gz UILRRUIOTNRMRL-SECBINFHSA-N 0 0 252.749 2.299 10 30 CEEERN CC[C@@H](C)CNC(=O)c1ccc(C#CCCO)cc1 ZINC000054490959 521992467 /nfs/dbraw/zinc/99/24/67/521992467.db2.gz VTPZGPRNTKVQGR-CYBMUJFWSA-N 0 0 259.349 2.196 10 30 CEEERN CN(C)c1ccc(C(=O)OCCCCC#N)cc1N ZINC000049579281 522155921 /nfs/dbraw/zinc/15/59/21/522155921.db2.gz UKDHSPJLIOJDED-UHFFFAOYSA-N 0 0 261.325 2.185 10 30 CEEERN CN[C@@H](C#N)CCOc1cc(C)c([N+](=O)[O-])cc1C ZINC000062998236 522318543 /nfs/dbraw/zinc/31/85/43/522318543.db2.gz PLAKFPPAEKKOSJ-LLVKDONJSA-N 0 0 263.297 2.092 10 30 CEEERN CN[C@@](C#N)(COc1ccc(C)cc1OC)C1CC1 ZINC000069087603 522403630 /nfs/dbraw/zinc/40/36/30/522403630.db2.gz ISOBMKLQMKHZKW-HNNXBMFYSA-N 0 0 260.337 2.274 10 30 CEEERN CN[C@@](C)(C#N)C[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000068622608 522405330 /nfs/dbraw/zinc/40/53/30/522405330.db2.gz USOULVFBNLXAME-TVQRCGJNSA-N 0 0 281.287 2.393 10 30 CEEERN CN[C@@](C)(C#N)C[C@H](C)Oc1cc(OC)cc(OC)c1 ZINC000068618330 522405866 /nfs/dbraw/zinc/40/58/66/522405866.db2.gz SPRAOPJUAYYVAH-XHDPSFHLSA-N 0 0 278.352 2.363 10 30 CEEERN CN[C@@](C)(C#N)C[C@H](C)Oc1ccc(C#N)cc1[N+](=O)[O-] ZINC000068623169 522406835 /nfs/dbraw/zinc/40/68/35/522406835.db2.gz IFSGBVVMTZZWGZ-IINYFYTJSA-N 0 0 288.307 2.126 10 30 CEEERN CN[C@H](C#N)CCOc1c(F)c(F)c(F)c(F)c1F ZINC000062448072 522436413 /nfs/dbraw/zinc/43/64/13/522436413.db2.gz FJJHQAIPIROABL-YFKPBYRVSA-N 0 0 280.196 2.263 10 30 CEEERN CN[C@](C#N)(CN(C)c1ccccc1OC)C1CC1 ZINC000069081444 522510817 /nfs/dbraw/zinc/51/08/17/522510817.db2.gz WXBWQJTWZYQANN-OAHLLOKOSA-N 0 0 259.353 2.023 10 30 CEEERN COc1cc(OC)c(C(=O)N(C)[C@H](C)CC#N)cc1OC ZINC000063094381 522788258 /nfs/dbraw/zinc/78/82/58/522788258.db2.gz HXBBOCPVPPKDBT-SNVBAGLBSA-N 0 0 292.335 2.087 10 30 CEEERN COc1cc([N+](=O)[O-])ccc1O[C@@H](C)C[C@](C)(N)C#N ZINC000068623298 522984362 /nfs/dbraw/zinc/98/43/62/522984362.db2.gz XTJDPCPCVJDRHO-ZANVPECISA-N 0 0 279.296 2.002 10 30 CEEERN CCn1c(S[C@H]2C[C@H](C)CC[C@@H]2C#N)n[nH]c1=O ZINC000061595371 523246129 /nfs/dbraw/zinc/24/61/29/523246129.db2.gz LCNZQQGUQUEUMX-BBBLOLIVSA-N 0 0 266.370 2.012 10 30 CEEERN CC[C@H]1CN(Cc2ccc(F)cc2C#CCCO)CCO1 ZINC000049618441 523286896 /nfs/dbraw/zinc/28/68/96/523286896.db2.gz NMWKOTGXIVFUBO-KRWDZBQOSA-N 0 0 291.366 2.170 10 30 CEEERN CN(Cc1cccc(C#CCO)c1)CC(F)(F)F ZINC000049613451 523290389 /nfs/dbraw/zinc/29/03/89/523290389.db2.gz VTMQRBBCNFGKLN-UHFFFAOYSA-N 0 0 257.255 2.025 10 30 CEEERN COCCN(C(=O)[C@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1 ZINC000156182794 523551782 /nfs/dbraw/zinc/55/17/82/523551782.db2.gz FFKQZQUQBMXTPN-IUODEOHRSA-N 0 0 288.347 2.105 10 30 CEEERN COCCN(CC(C)C)C[C@@](C#N)(NC1CC1)C1CC1 ZINC000069079522 523679885 /nfs/dbraw/zinc/67/98/85/523679885.db2.gz UPCZQCKCBLKRIN-MRXNPFEDSA-N 0 0 279.428 2.015 10 30 CEEERN COc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1F ZINC000061888509 523727050 /nfs/dbraw/zinc/72/70/50/523727050.db2.gz VLOJKLJVWGCWDA-CMPLNLGQSA-N 0 0 262.284 2.256 10 30 CEEERN CO[C@H]1CCC[C@H](OCC(=O)Nc2cccc(C#N)c2)C1 ZINC000070329222 523983793 /nfs/dbraw/zinc/98/37/93/523983793.db2.gz ATXKREBGRJJTEQ-GJZGRUSLSA-N 0 0 288.347 2.471 10 30 CEEERN Cc1ccc(C)c(C(=O)[C@H](C)N(CC#N)CC#N)c1 ZINC000049537493 524089211 /nfs/dbraw/zinc/08/92/11/524089211.db2.gz AOQJYWQMXSGHEW-ZDUSSCGKSA-N 0 0 255.321 2.224 10 30 CEEERN C[C@H]1CCC[C@H](C)N1C(=O)c1cncc(C#CCCO)c1 ZINC000049628358 524189119 /nfs/dbraw/zinc/18/91/19/524189119.db2.gz 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/nfs/dbraw/zinc/58/70/41/343587041.db2.gz DQOVXBWDLNHYTH-SECBINFHSA-N 0 0 269.142 2.259 10 30 CEEERN C[C@H]1[C@@H](O)CCCN1c1nc(Cl)c(C#N)s1 ZINC000295034265 199312605 /nfs/dbraw/zinc/31/26/05/199312605.db2.gz SEBISFHHVNWADB-BQBZGAKWSA-N 0 0 257.746 2.018 10 30 CEEERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C#N)cc2)o1 ZINC000048983872 362320514 /nfs/dbraw/zinc/32/05/14/362320514.db2.gz QDBCNKMFPGXJHS-NSHDSACASA-N 0 0 297.314 2.276 10 30 CEEERN Cc1cc(C#N)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1 ZINC000049036633 362326167 /nfs/dbraw/zinc/32/61/67/362326167.db2.gz XSPCFQKHLJIPHA-UHFFFAOYSA-N 0 0 297.314 2.010 10 30 CEEERN N#Cc1ccc2ccn(S(=O)(=O)c3ccccc3)c2n1 ZINC000095919955 344237996 /nfs/dbraw/zinc/23/79/96/344237996.db2.gz FJXJFIFKDADEBO-UHFFFAOYSA-N 0 0 283.312 2.145 10 30 CEEERN N#CC1(C2CCOCC2)CCC2(CC1)OCCO2 ZINC000116497284 344286842 /nfs/dbraw/zinc/28/68/42/344286842.db2.gz XARBJNQGVCWPKA-UHFFFAOYSA-N 0 0 251.326 2.240 10 30 CEEERN N#C[C@]1(c2ccc(Br)cc2)C[C@H]1CO ZINC000132780654 344365531 /nfs/dbraw/zinc/36/55/31/344365531.db2.gz SKNLJJRHCHKRCZ-ONGXEEELSA-N 0 0 252.111 2.223 10 30 CEEERN C#CCn1nc(Br)cc1Br ZINC000129250743 344342007 /nfs/dbraw/zinc/34/20/07/344342007.db2.gz KZUHVMLGHLTODJ-UHFFFAOYSA-N 0 0 263.920 2.041 10 30 CEEERN C=CC[C@@H](C)Nc1nc(N)cc(Br)n1 ZINC000161663033 344464778 /nfs/dbraw/zinc/46/47/78/344464778.db2.gz BBRABBPJKVDWIV-ZCFIWIBFSA-N 0 0 257.135 2.198 10 30 CEEERN C#C[C@H](NC)c1cccc(C)c1I ZINC000234393227 344585059 /nfs/dbraw/zinc/58/50/59/344585059.db2.gz RVUUITHFMSCWJM-JTQLQIEISA-N 0 0 285.128 2.493 10 30 CEEERN N#Cc1ccc(N2CCC(=O)C2)cc1Br ZINC000237987374 344605729 /nfs/dbraw/zinc/60/57/29/344605729.db2.gz HSKBIXPCRGTPET-UHFFFAOYSA-N 0 0 265.110 2.100 10 30 CEEERN CN(N=C1C(=O)ON=C1c1ccccc1)c1ccccc1 ZINC000256000302 344646600 /nfs/dbraw/zinc/64/66/00/344646600.db2.gz RUYLGOWTPMBGND-UHFFFAOYSA-N 0 0 279.299 2.440 10 30 CEEERN COC[C@@H](C#N)Nc1ccc(Br)cc1 ZINC000307395878 344722415 /nfs/dbraw/zinc/72/24/15/344722415.db2.gz AHYGWEYBUDRGCS-SNVBAGLBSA-N 0 0 255.115 2.400 10 30 CEEERN C[C@H](COCc1ccccc1)NC(=O)CCS ZINC000307403633 344722436 /nfs/dbraw/zinc/72/24/36/344722436.db2.gz ATZGGRRQWBWKRV-LLVKDONJSA-N 0 0 253.367 2.028 10 30 CEEERN Cc1ccc(NC(=O)N(C)C[C@H]2CCn3ccnc3C2)cn1 ZINC000328640985 344757390 /nfs/dbraw/zinc/75/73/90/344757390.db2.gz XSKINVVUNGHIJT-ZDUSSCGKSA-N 0 0 299.378 2.326 10 30 CEEERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1ccc(C#N)cc1 ZINC000328628527 344756317 /nfs/dbraw/zinc/75/63/17/344756317.db2.gz NUEVNUFPOLZQQN-CQSZACIVSA-N 0 0 294.358 2.089 10 30 CEEERN C=C(C(=O)OC)[C@@H](OC(C)=O)c1ccc(C)s1 ZINC000584606729 344964149 /nfs/dbraw/zinc/96/41/49/344964149.db2.gz KXJFYLGWBQKMEY-LLVKDONJSA-N 0 0 254.307 2.390 10 30 CEEERN CC(C)(C=O)[C@@H](C[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000584610794 344964829 /nfs/dbraw/zinc/96/48/29/344964829.db2.gz LEKAJNMCKGVSMS-JTQLQIEISA-N 0 0 266.253 2.180 10 30 CEEERN CCNC(=O)/C=C(\C=C\[C@](C)(O)C1(C#N)CC1)CC ZINC000584623124 344967598 /nfs/dbraw/zinc/96/75/98/344967598.db2.gz KYIAZUUTZHLIRJ-HVFHTMMJSA-N 0 0 262.353 2.070 10 30 CEEERN Cc1ccc(N)cc1-c1cnc(N2CCOCC2)c(C#N)c1 ZINC000584633675 344970498 /nfs/dbraw/zinc/97/04/98/344970498.db2.gz ZWFSZISABWXTBN-UHFFFAOYSA-N 0 0 294.358 2.348 10 30 CEEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000589562004 345086513 /nfs/dbraw/zinc/08/65/13/345086513.db2.gz RTXPSWDVSAYJQG-ZYHUDNBSSA-N 0 0 261.281 2.182 10 30 CEEERN COCCC[S@@](=O)C[C@@H](C#N)c1ccccc1 ZINC000084256900 178832815 /nfs/dbraw/zinc/83/28/15/178832815.db2.gz LZYBWGDRUCNDDC-DYVFJYSZSA-N 0 0 251.351 2.079 10 30 CEEERN CC(C)[S@@](=O)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000084266455 178834590 /nfs/dbraw/zinc/83/45/90/178834590.db2.gz KFAJNRHOBBRDCV-MGNBDDOMSA-N 0 0 264.350 2.042 10 30 CEEERN N#Cc1ccc(-c2nc(COC[C@H]3CCCO3)no2)s1 ZINC000592467548 345357454 /nfs/dbraw/zinc/35/74/54/345357454.db2.gz KWSGMPJXIXOUFP-SECBINFHSA-N 0 0 291.332 2.365 10 30 CEEERN C=C[C@@H](NN)c1ccc(OC)c(Br)c1 ZINC000097753013 185660445 /nfs/dbraw/zinc/66/04/45/185660445.db2.gz PLVCBXZCJYWNHX-SECBINFHSA-N 0 0 257.131 2.148 10 30 CEEERN COc1cc(CN[C@@H]2CCC[C@@H]2C#N)cc(OC)c1O ZINC000061891714 362697790 /nfs/dbraw/zinc/69/77/90/362697790.db2.gz QOXIRERNQPYPKT-VXGBXAGGSA-N 0 0 276.336 2.191 10 30 CEEERN CN(C)c1nccc(N(C)c2cccc(C#N)c2)n1 ZINC000085436969 179063973 /nfs/dbraw/zinc/06/39/73/179063973.db2.gz HIBMPWZNIVUQEH-UHFFFAOYSA-N 0 0 253.309 2.182 10 30 CEEERN C=CCN1C(=O)[C@H](CCC)NC(=O)C12CCCCC2 ZINC000085715176 179126885 /nfs/dbraw/zinc/12/68/85/179126885.db2.gz FQOKRINVCFCSHB-LBPRGKRZSA-N 0 0 264.369 2.002 10 30 CEEERN Cc1cnn([C@H]2CCCN(c3cccc(C#N)n3)C2)c1 ZINC000172756979 136562115 /nfs/dbraw/zinc/56/21/15/136562115.db2.gz HROIRKWZTJKJQJ-AWEZNQCLSA-N 0 0 267.336 2.300 10 30 CEEERN C=CCN1C(=O)C2(CCCCC2)NC(=O)[C@@H]1CCC ZINC000085757375 179150056 /nfs/dbraw/zinc/15/00/56/179150056.db2.gz BNLJELMIWOHERD-LBPRGKRZSA-N 0 0 264.369 2.002 10 30 CEEERN C=CCN1C(=O)C2(CCCCC2)NC(=O)[C@]1(C)CC ZINC000085758355 179150899 /nfs/dbraw/zinc/15/08/99/179150899.db2.gz HDRQAUJQMFWPOM-AWEZNQCLSA-N 0 0 264.369 2.002 10 30 CEEERN C=CCN1C(=O)[C@H](C2CCCCC2)NC(=O)[C@H]1CC(C)C ZINC000085776075 179159590 /nfs/dbraw/zinc/15/95/90/179159590.db2.gz HVLNVZXYSWHMQK-CABCVRRESA-N 0 0 292.423 2.494 10 30 CEEERN C=CCN1C(=O)[C@](C)(c2ccccc2)NC(=O)[C@H]1CCC ZINC000085776627 179159953 /nfs/dbraw/zinc/15/99/53/179159953.db2.gz RMHQZVIUNVHQRV-PBHICJAKSA-N 0 0 286.375 2.215 10 30 CEEERN C=CCN1C(=O)[C@H](C2CCCCC2)NC(=O)C12CCCC2 ZINC000085776360 179160046 /nfs/dbraw/zinc/16/00/46/179160046.db2.gz CGPYULHBSIJCTD-AWEZNQCLSA-N 0 0 290.407 2.393 10 30 CEEERN C=C[C@@H](O)C#CC#CC[C@H](O)[C@H](O)CCCCCCC ZINC000085832047 179184246 /nfs/dbraw/zinc/18/42/46/179184246.db2.gz RDIMTXDFGHNINN-ZACQAIPSSA-N 0 0 278.392 2.013 10 30 in-man CEEERN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C#N)cc1N ZINC000085915758 179198758 /nfs/dbraw/zinc/19/87/58/179198758.db2.gz CQWMHPBZKUGBCJ-PHIMTYICSA-N 0 0 293.392 2.092 10 30 CEEERN C[C@H]1[C@H](NC(=O)c2ccc(C#CCO)cc2)CC[C@@H]1C ZINC000086081105 179227491 /nfs/dbraw/zinc/22/74/91/179227491.db2.gz DROQXTAAALEODK-WOSRLPQWSA-N 0 0 271.360 2.195 10 30 CEEERN CCOC(=O)C(Cl)=NNc1cccc(OC)c1 ZINC000606206202 347463319 /nfs/dbraw/zinc/46/33/19/347463319.db2.gz YVISHWWYVAIPNX-UHFFFAOYSA-N 0 0 256.689 2.223 10 30 CEEERN CCc1cccc(OCC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000610496737 347685842 /nfs/dbraw/zinc/68/58/42/347685842.db2.gz OJUDVYMFDUBKRL-UKRRQHHQSA-N 0 0 272.348 2.436 10 30 CEEERN C#CCNC(=O)COc1ccc(OC)cc1C(C)(C)C ZINC000086336487 179273634 /nfs/dbraw/zinc/27/36/34/179273634.db2.gz KIZQEVDWEWASGD-UHFFFAOYSA-N 0 0 275.348 2.121 10 30 CEEERN COC[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000103358551 185832373 /nfs/dbraw/zinc/83/23/73/185832373.db2.gz XOONMJOILZOHHQ-QMMMGPOBSA-N 0 0 252.701 2.433 10 30 CEEERN C[C@@H](C#N)CN(C)c1ncc(N)cc1Br ZINC000086481124 179301123 /nfs/dbraw/zinc/30/11/23/179301123.db2.gz ZBCOYGJATUEEMR-ZETCQYMHSA-N 0 0 269.146 2.022 10 30 CEEERN COC[C@@H](NC(=O)[C@@H](C#N)c1ccccc1)C(C)C ZINC000086700787 179321846 /nfs/dbraw/zinc/32/18/46/179321846.db2.gz JZCSDPFWAUSHLD-UONOGXRCSA-N 0 0 260.337 2.081 10 30 CEEERN CC[C@@H](C)NC(=O)c1cc(C#CCCO)ccc1C ZINC000087745729 179479725 /nfs/dbraw/zinc/47/97/25/179479725.db2.gz YOCPBMDHFZGIGY-CYBMUJFWSA-N 0 0 259.349 2.257 10 30 CEEERN CC(C)N(CCC#N)c1nc(Cl)c(CO)s1 ZINC000087768575 179482793 /nfs/dbraw/zinc/48/27/93/179482793.db2.gz GAVVOQDPYYBCMY-UHFFFAOYSA-N 0 0 259.762 2.417 10 30 CEEERN COC(=O)N1CCCOC[C@H]1c1ccc(C#N)cc1 ZINC000616648244 348547215 /nfs/dbraw/zinc/54/72/15/348547215.db2.gz CCVNGXLWNUJINO-ZDUSSCGKSA-N 0 0 260.293 2.088 10 30 CEEERN CCOC(=O)N1CCOC[C@@H]1c1cccc(C#N)c1 ZINC000616600196 348529900 /nfs/dbraw/zinc/52/99/00/348529900.db2.gz BLRFEHOEQTYFHZ-CYBMUJFWSA-N 0 0 260.293 2.088 10 30 CEEERN COC(=O)N1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616662263 348553825 /nfs/dbraw/zinc/55/38/25/348553825.db2.gz FSNFIHRCCBBXHK-CYBMUJFWSA-N 0 0 260.293 2.088 10 30 CEEERN C[C@H](C#N)S(=O)(=O)N1CCCCc2ccccc21 ZINC000088486552 179612433 /nfs/dbraw/zinc/61/24/33/179612433.db2.gz CRZNMMBNUROHAF-LLVKDONJSA-N 0 0 264.350 2.071 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)N(C)C1CCC(C)CC1 ZINC000088476586 179611242 /nfs/dbraw/zinc/61/12/42/179611242.db2.gz CVXUTMDKMIMMBW-MCIGGMRASA-N 0 0 258.387 2.129 10 30 CEEERN CC(C)n1ncnc1COc1ccccc1C#CCCO ZINC000088617114 179640760 /nfs/dbraw/zinc/64/07/60/179640760.db2.gz CIMBIMATGKSPON-UHFFFAOYSA-N 0 0 285.347 2.172 10 30 CEEERN C=CCc1cc(N)ccc1Oc1ccnc(C(N)=O)c1 ZINC000089064838 179696040 /nfs/dbraw/zinc/69/60/40/179696040.db2.gz MUEVUHRIHNXGCP-UHFFFAOYSA-N 0 0 269.304 2.284 10 30 CEEERN COc1cccc(CNc2c(C#N)c(C)nn2C)c1 ZINC000104442215 186004005 /nfs/dbraw/zinc/00/40/05/186004005.db2.gz KLVZSIAXQMRCGS-UHFFFAOYSA-N 0 0 256.309 2.221 10 30 CEEERN COC(=O)c1nccc(N[C@H](C)c2ccc(C#N)cc2)n1 ZINC000090737294 180034343 /nfs/dbraw/zinc/03/43/43/180034343.db2.gz ZBEDTACZCZJBCB-SNVBAGLBSA-N 0 0 282.303 2.308 10 30 CEEERN N#Cc1ccc(OC[C@H](O)CNc2ccsc2)cc1 ZINC000090867123 180048122 /nfs/dbraw/zinc/04/81/22/180048122.db2.gz LHJBAVKJWAUSJN-CYBMUJFWSA-N 0 0 274.345 2.472 10 30 CEEERN COc1ccc(N[C@H](C#N)CC(=O)NC(C)(C)C)cc1 ZINC000091321906 180134357 /nfs/dbraw/zinc/13/43/57/180134357.db2.gz MUIXDXSOXGYCDU-LBPRGKRZSA-N 0 0 275.352 2.304 10 30 CEEERN Cc1cccc(NC(=O)c2ccncc2C#CCCO)c1 ZINC000091457251 180160715 /nfs/dbraw/zinc/16/07/15/180160715.db2.gz FZMHRPNJGBITGW-UHFFFAOYSA-N 0 0 280.327 2.376 10 30 CEEERN CC(C)(C)CC(C)(C)NC(=O)c1ccncc1C#CCO ZINC000091458895 180160907 /nfs/dbraw/zinc/16/09/07/180160907.db2.gz YAYDZXSBUIJDOE-UHFFFAOYSA-N 0 0 288.391 2.370 10 30 CEEERN CCCCC[C@H](C)NC(=O)c1ccncc1C#CCO ZINC000091458508 180161115 /nfs/dbraw/zinc/16/11/15/180161115.db2.gz XNVGQYSFIPYOLV-ZDUSSCGKSA-N 0 0 274.364 2.124 10 30 CEEERN CCC[C@H](C)NC(=O)[C@H](C)N1CCC(C#N)(SC)CC1 ZINC000091474469 180165325 /nfs/dbraw/zinc/16/53/25/180165325.db2.gz FWGGTJOVIXKUJC-STQMWFEESA-N 0 0 297.468 2.401 10 30 CEEERN N#Cc1cc2ccccc2nc1NCC1CC(O)C1 ZINC000091538332 180183217 /nfs/dbraw/zinc/18/32/17/180183217.db2.gz HSENLMDZDJZDSZ-UHFFFAOYSA-N 0 0 253.305 2.289 10 30 CEEERN N#C[C@H]1CNCCN1Cc1csc(-c2ccccc2)n1 ZINC000091749091 180245994 /nfs/dbraw/zinc/24/59/94/180245994.db2.gz ZOHZVNHBACKTNS-AWEZNQCLSA-N 0 0 284.388 2.107 10 30 CEEERN N#CC1(NC(=O)CSc2cccc(N)c2)CCCC1 ZINC000091929146 180287980 /nfs/dbraw/zinc/28/79/80/180287980.db2.gz AGIIDELBMJWGRE-UHFFFAOYSA-N 0 0 275.377 2.313 10 30 CEEERN CCN(CC)C(=O)Nc1cc(C#CCCO)ccc1OC ZINC000091962335 180293142 /nfs/dbraw/zinc/29/31/42/180293142.db2.gz ZBRHWCPDYWPIFK-UHFFFAOYSA-N 0 0 290.363 2.303 10 30 CEEERN CCN(CC)C(=O)NCc1ccc(C#CCCO)s1 ZINC000091962352 180293335 /nfs/dbraw/zinc/29/33/35/180293335.db2.gz YBBIFULLSQMWMH-UHFFFAOYSA-N 0 0 280.393 2.033 10 30 CEEERN CCOc1cccc([C@@H](O)C2(C#N)CCOCC2)c1 ZINC000091879661 180279440 /nfs/dbraw/zinc/27/94/40/180279440.db2.gz VZMVIXZKHFWMQL-CQSZACIVSA-N 0 0 261.321 2.439 10 30 CEEERN Cn1cc([C@@H](O)[C@@]2(C#N)CCc3ccccc3C2)cn1 ZINC000091880985 180279599 /nfs/dbraw/zinc/27/95/99/180279599.db2.gz IJKVXHXPPFZBJX-CVEARBPZSA-N 0 0 267.332 2.152 10 30 CEEERN CSCC[C@H](O)[C@]1(C#N)COc2ccccc2C1 ZINC000091884736 180279974 /nfs/dbraw/zinc/27/99/74/180279974.db2.gz CGDDKGDPFSQVKM-UONOGXRCSA-N 0 0 263.362 2.245 10 30 CEEERN CSCC[C@H](O)[C@@]1(C#N)COc2ccccc2C1 ZINC000091884734 180280026 /nfs/dbraw/zinc/28/00/26/180280026.db2.gz CGDDKGDPFSQVKM-KBPBESRZSA-N 0 0 263.362 2.245 10 30 CEEERN C[C@@H]1C[C@@](O)([C@@]2(C#N)COc3ccccc3C2)CCO1 ZINC000091885240 180280117 /nfs/dbraw/zinc/28/01/17/180280117.db2.gz VYFVLMZWTQRZEY-UHOFOFEASA-N 0 0 273.332 2.061 10 30 CEEERN N#C[C@]1([C@H](O)C2CCOCC2)CCc2ccccc2C1 ZINC000091884325 180280128 /nfs/dbraw/zinc/28/01/28/180280128.db2.gz WEGGAMOFTQFPKD-SJORKVTESA-N 0 0 271.360 2.473 10 30 CEEERN COC(OC)[C@H](O)C1(C#N)CCC(C(C)C)CC1 ZINC000091904136 180282968 /nfs/dbraw/zinc/28/29/68/180282968.db2.gz DWGBDKMXQBYLHB-LXVYMNJGSA-N 0 0 255.358 2.322 10 30 CEEERN [NH3+]CC#Cc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000091971824 180295725 /nfs/dbraw/zinc/29/57/25/180295725.db2.gz XMMSXRMUZDMPRR-UHFFFAOYSA-N 0 0 271.364 2.405 10 30 CEEERN CCN(C)C(=O)Nc1ccc(C)cc1C#CCCO ZINC000091992236 180300428 /nfs/dbraw/zinc/30/04/28/180300428.db2.gz KWVUVEVLHJYBSC-UHFFFAOYSA-N 0 0 260.337 2.213 10 30 CEEERN C[C@H]1CCCN(C(=O)Nc2ccccc2C#CCO)C1 ZINC000091992123 180300545 /nfs/dbraw/zinc/30/05/45/180300545.db2.gz QUHJSKXNRGEYJN-ZDUSSCGKSA-N 0 0 272.348 2.294 10 30 CEEERN C=CC[NH2+]CC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000105676611 186067969 /nfs/dbraw/zinc/06/79/69/186067969.db2.gz LAVLZKWVVHIXAP-SNVBAGLBSA-N 0 0 252.745 2.293 10 30 CEEERN CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131548 180330037 /nfs/dbraw/zinc/33/00/37/180330037.db2.gz FCEZAHYGJFQEES-RYUDHWBXSA-N 0 0 280.393 2.466 10 30 CEEERN CC[C@@H](C)CNS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092132028 180330112 /nfs/dbraw/zinc/33/01/12/180330112.db2.gz BVGGQRBLVQYWNY-LLVKDONJSA-N 0 0 266.366 2.077 10 30 CEEERN CC(C)CCCNS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092132110 180330160 /nfs/dbraw/zinc/33/01/60/180330160.db2.gz FNISRFUBLDGHOO-UHFFFAOYSA-N 0 0 280.393 2.467 10 30 CEEERN C=C(Cl)CN1CCC(N(C)c2cccnn2)CC1 ZINC000105910459 186089449 /nfs/dbraw/zinc/08/94/49/186089449.db2.gz DNZRFPHCUDIFPJ-UHFFFAOYSA-N 0 0 266.776 2.130 10 30 CEEERN COc1ccc(Cl)cc1C(=O)Nc1c(C#N)cnn1C ZINC000106005899 186097069 /nfs/dbraw/zinc/09/70/69/186097069.db2.gz AQLOJINTRBBYNN-UHFFFAOYSA-N 0 0 290.710 2.206 10 30 CEEERN Cc1cc(C#N)cc(C)c1OCc1cc(NN)ccn1 ZINC000092425860 180383392 /nfs/dbraw/zinc/38/33/92/180383392.db2.gz ITQNSTJFAPERDK-UHFFFAOYSA-N 0 0 268.320 2.435 10 30 CEEERN C=CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000107919716 186197756 /nfs/dbraw/zinc/19/77/56/186197756.db2.gz AGZKSTUSARWZIM-YIONKMFJSA-N 0 0 287.359 2.379 10 30 CEEERN Cc1cnn(CCNc2c(F)cc(C#N)cc2F)c1 ZINC000108949188 186238231 /nfs/dbraw/zinc/23/82/31/186238231.db2.gz VDAXJYWAJBJIRO-UHFFFAOYSA-N 0 0 262.263 2.454 10 30 CEEERN Cc1ccc(N2C(=O)CCCCC2=O)cc1C#CCCO ZINC000109432824 186252194 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CCCc1nc(C(=O)Nc2cccc(F)c2C#N)n[nH]1 ZINC000095048212 184923939 /nfs/dbraw/zinc/92/39/39/184923939.db2.gz UBDPYCJDFNOHNB-UHFFFAOYSA-N 0 0 273.271 2.020 10 30 CEEERN COc1cc(Br)c(CC=O)cc1OC ZINC000001435954 169705628 /nfs/dbraw/zinc/70/56/28/169705628.db2.gz AZXNYDZSMHLWNH-UHFFFAOYSA-N 0 0 259.099 2.208 10 30 CEEERN C=CCC[C@H](C(=O)N1CC(NC(C)=O)C1)c1ccccc1 ZINC000190502766 130112497 /nfs/dbraw/zinc/11/24/97/130112497.db2.gz HWBVDBHTFZJDPG-INIZCTEOSA-N 0 0 286.375 2.083 10 30 CEEERN C=C(Br)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232455759 394481522 /nfs/dbraw/zinc/48/15/22/394481522.db2.gz FVPLAEUOQCQKHH-UHFFFAOYSA-N 0 0 283.085 2.182 10 30 CEEERN Cc1cc(N[C@H]2CCO[C@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413211206 394505390 /nfs/dbraw/zinc/50/53/90/394505390.db2.gz HNNUOVFOFJQIAQ-ONGXEEELSA-N 0 0 261.281 2.364 10 30 CEEERN COc1ccccc1CCC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000359669449 394769771 /nfs/dbraw/zinc/76/97/71/394769771.db2.gz DBYWCKHZNVJFGP-KGLIPLIRSA-N 0 0 272.348 2.436 10 30 CEEERN C[C@@H]1OCCC[C@H]1C(=O)N(CC#N)C1CCCC1 ZINC000187875886 395306896 /nfs/dbraw/zinc/30/68/96/395306896.db2.gz LYOHXVJVAWXDBC-WCQYABFASA-N 0 0 250.342 2.096 10 30 CEEERN COC(=O)Cc1cc(C#N)c(OC)c(C(F)F)c1 ZINC000575343629 395660093 /nfs/dbraw/zinc/66/00/93/395660093.db2.gz SVSYMADUWBXGCL-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN COC(=O)Cc1cc(OC)c(C#N)cc1C(F)F ZINC000575343527 395660119 /nfs/dbraw/zinc/66/01/19/395660119.db2.gz DQXDIZCVXXICIW-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN COC(=O)Cc1cc(C#N)cc(F)c1C(F)(F)F ZINC000575344890 395660286 /nfs/dbraw/zinc/66/02/86/395660286.db2.gz GITROBMJXGFENW-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN CCOC(=O)c1c(Cl)cc([N+](=O)[O-])cc1C#N ZINC000575382826 395662341 /nfs/dbraw/zinc/66/23/41/395662341.db2.gz CMIYJTHNWBSZOS-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1Cl ZINC000575382959 395662596 /nfs/dbraw/zinc/66/25/96/395662596.db2.gz YILRZNQSTYTSBG-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)cc(C#N)c1O ZINC000575385644 395662785 /nfs/dbraw/zinc/66/27/85/395662785.db2.gz AIEWMJCRRXSLTN-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)Cc1cc(OC(F)F)cc(C#N)c1F ZINC000575385645 395662886 /nfs/dbraw/zinc/66/28/86/395662886.db2.gz AJGQADZOHURWHE-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)F)c1C=O ZINC000575386031 395662930 /nfs/dbraw/zinc/66/29/30/395662930.db2.gz VMNMTMKSRLFTFJ-UHFFFAOYSA-N 0 0 283.230 2.078 10 30 CEEERN CCOC(=O)c1cc(C#N)c(F)cc1OC(F)F ZINC000575386023 395663064 /nfs/dbraw/zinc/66/30/64/395663064.db2.gz VEHSADMNFYTZEL-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575387539 395663117 /nfs/dbraw/zinc/66/31/17/395663117.db2.gz HLLPRLAUEILMQM-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)Cc1cc(CO)cc(C#N)c1C(F)F ZINC000575387369 395663134 /nfs/dbraw/zinc/66/31/34/395663134.db2.gz CVYDQQNCQRLJOV-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)Cc1c(F)ccc(C#N)c1OC(F)F ZINC000575386175 395663170 /nfs/dbraw/zinc/66/31/70/395663170.db2.gz XRXWAOPNEJXEBT-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1OC(F)F ZINC000575387283 395663267 /nfs/dbraw/zinc/66/32/67/395663267.db2.gz HGFWHKDBBIKXBM-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)c1cc(C#N)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575387864 395663472 /nfs/dbraw/zinc/66/34/72/395663472.db2.gz MWPSSXUHCFRWPP-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)c1c(OC(F)F)ccc(C#N)c1OC ZINC000575388685 395663839 /nfs/dbraw/zinc/66/38/39/395663839.db2.gz SROILWLILNHLOB-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN COC(=O)Cc1cc(F)c(OC(F)(F)F)cc1C#N ZINC000575390355 395664098 /nfs/dbraw/zinc/66/40/98/395664098.db2.gz CYAAGXYGKHDMEO-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN CC(C)n1nnnc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000195117282 153276010 /nfs/dbraw/zinc/27/60/10/153276010.db2.gz ZCLAUXFEABIAPG-UHFFFAOYSA-N 0 0 296.378 2.290 10 30 CEEERN Cc1nc(C#N)c(N=NCc2cccc([N+](=O)[O-])c2)o1 ZINC000006861435 170250626 /nfs/dbraw/zinc/25/06/26/170250626.db2.gz XPXXFGMUECWWBF-VGOFMYFVSA-N 0 0 271.236 2.209 10 30 CEEERN C/C(=N\NC(=S)NCc1ccccc1)c1ccccn1 ZINC000007013373 170262503 /nfs/dbraw/zinc/26/25/03/170262503.db2.gz REVOZSWCWMNWMO-LDADJPATSA-N 0 0 284.388 2.470 10 30 CEEERN Cc1cccc(C(=O)N(CCC#N)CCC#N)c1[N+](=O)[O-] ZINC000008320999 170330971 /nfs/dbraw/zinc/33/09/71/170330971.db2.gz LDLKSBNXRNAFIJ-UHFFFAOYSA-N 0 0 286.291 2.173 10 30 CEEERN N#Cc1c(=O)c2cc([N+](=O)[O-])ccc2n2ccccc12 ZINC000008436736 170336530 /nfs/dbraw/zinc/33/65/30/170336530.db2.gz FEAKPVYVAFAMND-UHFFFAOYSA-N 0 0 265.228 2.233 10 30 CEEERN C=CC(C)(C)OC[C@H](O)Cn1cnc2ccccc21 ZINC000012421379 170487597 /nfs/dbraw/zinc/48/75/97/170487597.db2.gz BLAKFBIOFXPIHG-GFCCVEGCSA-N 0 0 260.337 2.378 10 30 CEEERN N/C(CCOc1ccc(F)cc1Br)=N\O ZINC000019435270 170799362 /nfs/dbraw/zinc/79/93/62/170799362.db2.gz NDRUXBQKZQEQOY-UHFFFAOYSA-N 0 0 277.093 2.104 10 30 CEEERN N/C(=N\O)c1ccccc1CN1CCc2ccccc21 ZINC000019517566 170823560 /nfs/dbraw/zinc/82/35/60/170823560.db2.gz UZDNDLUFLXISED-UHFFFAOYSA-N 0 0 267.332 2.344 10 30 CEEERN N/C(=N\O)c1ccc(Sc2nc3ccccc3o2)nc1 ZINC000019847865 170896927 /nfs/dbraw/zinc/89/69/27/170896927.db2.gz PHTXDSORANBDNQ-UHFFFAOYSA-N 0 0 286.316 2.469 10 30 CEEERN N#Cc1cccc(C(=O)N2CCc3cc(N)ccc32)c1 ZINC000019874619 170904349 /nfs/dbraw/zinc/90/43/49/170904349.db2.gz RCWJAOBMXKSVGL-UHFFFAOYSA-N 0 0 263.300 2.343 10 30 CEEERN C=CCN[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000020176090 171042489 /nfs/dbraw/zinc/04/24/89/171042489.db2.gz KQKCRVOCPQQRDF-LLVKDONJSA-N 0 0 262.309 2.053 10 30 CEEERN N#CCNc1ccccc1I ZINC000020480245 171221726 /nfs/dbraw/zinc/22/17/26/171221726.db2.gz UNKAAJNYGWHGTL-UHFFFAOYSA-N 0 0 258.062 2.227 10 30 CEEERN N#CCc1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000020496871 171227057 /nfs/dbraw/zinc/22/70/57/171227057.db2.gz UFLRXHGLRKXHBH-UHFFFAOYSA-N 0 0 285.328 2.472 10 30 CEEERN Cc1ccc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)o1 ZINC000027094955 171506822 /nfs/dbraw/zinc/50/68/22/171506822.db2.gz DBZNGRCYKSSMPV-AUWJEWJLSA-N 0 0 299.282 2.068 10 30 CEEERN O=C(c1ccc(F)c(Cl)c1)N1CCC2(CO2)CC1 ZINC000034524168 171843156 /nfs/dbraw/zinc/84/31/56/171843156.db2.gz LCVOQJLRNYKTOA-UHFFFAOYSA-N 0 0 269.703 2.484 10 30 CEEERN COC(=O)CCSCCC(=O)Nc1ccccc1C#N ZINC000035220138 172060952 /nfs/dbraw/zinc/06/09/52/172060952.db2.gz LKXJLJKOPZCCLI-UHFFFAOYSA-N 0 0 292.360 2.183 10 30 CEEERN CCOC(=O)CSCC(=O)c1ccc(C#N)cc1 ZINC000035224918 172069122 /nfs/dbraw/zinc/06/91/22/172069122.db2.gz XYGILLQJINHZKE-UHFFFAOYSA-N 0 0 263.318 2.037 10 30 CEEERN O=[N+]([O-])c1ccc(F)cc1CN1CCC(=NO)CC1 ZINC000035308292 172121495 /nfs/dbraw/zinc/12/14/95/172121495.db2.gz LYJATDYHDCPTOA-UHFFFAOYSA-N 0 0 267.260 2.160 10 30 CEEERN C=CCNC(=O)[C@@H](C)Sc1ccc(N)cc1C ZINC000037193844 173023247 /nfs/dbraw/zinc/02/32/47/173023247.db2.gz RDVPWJQZSVENFI-SNVBAGLBSA-N 0 0 250.367 2.360 10 30 CEEERN C=CCNC(=O)CSc1c(N)cccc1Cl ZINC000037204344 173026941 /nfs/dbraw/zinc/02/69/41/173026941.db2.gz WHDATEISQVIPNP-UHFFFAOYSA-N 0 0 256.758 2.317 10 30 CEEERN N#Cc1cccc(-c2nnc3ccc(Cl)nn32)c1 ZINC000037325146 173125693 /nfs/dbraw/zinc/12/56/93/173125693.db2.gz RSJBBUVWDJWFTM-UHFFFAOYSA-N 0 0 255.668 2.316 10 30 CEEERN COc1ccc(C)cc1[C@@H](C#N)C(=O)[C@@H]1CCCO1 ZINC000037345852 173143226 /nfs/dbraw/zinc/14/32/26/173143226.db2.gz GGWQVGNFQCVFQB-OCCSQVGLSA-N 0 0 259.305 2.359 10 30 CEEERN C=CCc1cc(OCC)ccc1OCC(=O)OC ZINC000037406328 173182031 /nfs/dbraw/zinc/18/20/31/173182031.db2.gz HZPSLYGQMXNQPT-UHFFFAOYSA-N 0 0 250.294 2.366 10 30 CEEERN CCCN(CC)C(=O)c1ccc(F)cc1C#CCO ZINC000037569703 173520391 /nfs/dbraw/zinc/52/03/91/173520391.db2.gz HMZSXFJVZKNOEP-UHFFFAOYSA-N 0 0 263.312 2.042 10 30 CEEERN CN(/N=C1\C(=O)ON=C1c1ccccc1)c1ccccc1 ZINC000038822101 174156097 /nfs/dbraw/zinc/15/60/97/174156097.db2.gz RUYLGOWTPMBGND-ICFOKQHNSA-N 0 0 279.299 2.440 10 30 CEEERN C#CCn1c(CCCNC(=O)C(C)C)nc2ccccc21 ZINC000040204127 174203604 /nfs/dbraw/zinc/20/36/04/174203604.db2.gz KJUQEJKZMYOBMZ-UHFFFAOYSA-N 0 0 283.375 2.374 10 30 CEEERN N#C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000040216647 174205339 /nfs/dbraw/zinc/20/53/39/174205339.db2.gz BMNRBDXDKQZMGY-AWEZNQCLSA-N 0 0 290.319 2.369 10 30 CEEERN Cc1cc(F)ccc1S(=O)(=O)NC1(C#N)CCCC1 ZINC000040217254 174205446 /nfs/dbraw/zinc/20/54/46/174205446.db2.gz RBXVDGPMROMFBK-UHFFFAOYSA-N 0 0 282.340 2.249 10 30 CEEERN N#CCN(CC#N)c1ncnc(Sc2ccccc2)c1N ZINC000040736675 174389562 /nfs/dbraw/zinc/38/95/62/174389562.db2.gz UXYWJKNJADKTJT-UHFFFAOYSA-N 0 0 296.359 2.064 10 30 CEEERN C=CCNC(=O)CCc1ccc(OCC)c(OC)c1 ZINC000040999888 174448264 /nfs/dbraw/zinc/44/82/64/174448264.db2.gz WGHXJCDVKXBNDV-UHFFFAOYSA-N 0 0 263.337 2.329 10 30 CEEERN N#CCN(Cc1ccccc1)C(=O)c1ccnc(F)c1 ZINC000041040131 174462721 /nfs/dbraw/zinc/46/27/21/174462721.db2.gz XKTWXEZALRGZRE-UHFFFAOYSA-N 0 0 269.279 2.387 10 30 CEEERN Cc1nn(-c2ccccc2)c(N(C)C[C@H](C)C#N)c1CO ZINC000042456041 174747559 /nfs/dbraw/zinc/74/75/59/174747559.db2.gz OLWBOCKUEZGXPC-GFCCVEGCSA-N 0 0 284.363 2.269 10 30 CEEERN Cc1nn(-c2ccccc2)c(N(C)C[C@@H](C)C#N)c1CO ZINC000042456040 174747856 /nfs/dbraw/zinc/74/78/56/174747856.db2.gz OLWBOCKUEZGXPC-LBPRGKRZSA-N 0 0 284.363 2.269 10 30 CEEERN CCOC(=O)CN(c1nc2c(cc1C#N)CCC2)C(C)C ZINC000043407223 175037136 /nfs/dbraw/zinc/03/71/36/175037136.db2.gz DSSWGYHTAOVBPL-UHFFFAOYSA-N 0 0 287.363 2.220 10 30 CEEERN N#CC1(C(=O)N2CCCC[C@@H]2CO)CCCCCC1 ZINC000044766152 175249234 /nfs/dbraw/zinc/24/92/34/175249234.db2.gz LWTZNLCMRSLVCX-CYBMUJFWSA-N 0 0 264.369 2.224 10 30 CEEERN CCC(CC)N(CCO)C(=O)C1(C#N)CCCCC1 ZINC000044767023 175249623 /nfs/dbraw/zinc/24/96/23/175249623.db2.gz CCXXHRFOUUWOCY-UHFFFAOYSA-N 0 0 266.385 2.470 10 30 CEEERN CCC(C#N)(CC)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000044767351 175249901 /nfs/dbraw/zinc/24/99/01/175249901.db2.gz QSKPPFORZBZMKJ-NSHDSACASA-N 0 0 268.357 2.020 10 30 CEEERN CCC(C#N)(CC)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000044767335 175249908 /nfs/dbraw/zinc/24/99/08/175249908.db2.gz FRQNWAJAERXVNW-QWHCGFSZSA-N 0 0 264.369 2.486 10 30 CEEERN CCOC[C@H](C)NC(=O)C1(C#N)CCCCCC1 ZINC000044767448 175250095 /nfs/dbraw/zinc/25/00/95/175250095.db2.gz MFWGNHQHMUHTJN-LBPRGKRZSA-N 0 0 252.358 2.392 10 30 CEEERN CN(C(=O)[C@H](C#N)Cc1ccccc1)c1ccccn1 ZINC000044813160 175257913 /nfs/dbraw/zinc/25/79/13/175257913.db2.gz JFNFFRACARTXKV-AWEZNQCLSA-N 0 0 265.316 2.427 10 30 CEEERN CC(C)[C@@H](C#N)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000044813960 175258021 /nfs/dbraw/zinc/25/80/21/175258021.db2.gz BXSMMQSWGNPIMK-GFCCVEGCSA-N 0 0 261.281 2.353 10 30 CEEERN CCC[C@@H](C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000044814105 175258078 /nfs/dbraw/zinc/25/80/78/175258078.db2.gz NXSMCZQYVUUJDG-VIFPVBQESA-N 0 0 277.280 2.482 10 30 CEEERN CC[C@H](C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000044814103 175258101 /nfs/dbraw/zinc/25/81/01/175258101.db2.gz ROCMLJVYZPYHNP-MRVPVSSYSA-N 0 0 263.253 2.092 10 30 CEEERN COCCN(C[C@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045177473 175323333 /nfs/dbraw/zinc/32/33/33/175323333.db2.gz HYYHPDOOSCZVJY-ZFWWWQNUSA-N 0 0 267.417 2.014 10 30 CEEERN CCN(CC)C[C@@](C#N)(NC1CC1)c1ccccc1 ZINC000045178964 175324444 /nfs/dbraw/zinc/32/44/44/175324444.db2.gz YEUCOQUERUMVIO-MRXNPFEDSA-N 0 0 257.381 2.499 10 30 CEEERN N#C[C@](N)(Cn1cnc2ccccc21)c1ccccc1 ZINC000045183805 175326509 /nfs/dbraw/zinc/32/65/09/175326509.db2.gz ABAPEABLOGMHNR-INIZCTEOSA-N 0 0 262.316 2.414 10 30 CEEERN Cc1nc(C)n(C[C@@](C#N)(NC2CC2)c2ccccc2)n1 ZINC000045207165 175328824 /nfs/dbraw/zinc/32/88/24/175328824.db2.gz GHJPFESTNCYXSP-MRXNPFEDSA-N 0 0 281.363 2.066 10 30 CEEERN CCc1nccn1C[C@@](C#N)(NC)c1ccccc1 ZINC000045207221 175328832 /nfs/dbraw/zinc/32/88/32/175328832.db2.gz MRSHTBSDSUYFCT-OAHLLOKOSA-N 0 0 254.337 2.084 10 30 CEEERN Cc1ccc([N+](=O)[O-])c(OC[C@@](C)(C#N)NC2CC2)c1 ZINC000045214378 175329105 /nfs/dbraw/zinc/32/91/05/175329105.db2.gz WATGYKILGMYOGR-CQSZACIVSA-N 0 0 275.308 2.316 10 30 CEEERN CN[C@@](C)(C#N)CCOc1ccc(CCOC)cc1 ZINC000045213032 175329162 /nfs/dbraw/zinc/32/91/62/175329162.db2.gz TUURSETYSPUCHQ-OAHLLOKOSA-N 0 0 262.353 2.146 10 30 CEEERN CCN[C@](C)(C#N)COc1ccc([N+](=O)[O-])cc1F ZINC000045214804 175329492 /nfs/dbraw/zinc/32/94/92/175329492.db2.gz IFEJSNKMZCUULS-GFCCVEGCSA-N 0 0 267.260 2.004 10 30 CEEERN CN[C@@](C#N)(CSc1nccn1C)c1ccccc1 ZINC000045217487 175329660 /nfs/dbraw/zinc/32/96/60/175329660.db2.gz JGJPSIODJLMVRI-AWEZNQCLSA-N 0 0 272.377 2.151 10 30 CEEERN CC(C)N[C@](C)(C#N)CCSc1nncs1 ZINC000045219302 175329921 /nfs/dbraw/zinc/32/99/21/175329921.db2.gz DCNFBZVOLYPCAB-JTQLQIEISA-N 0 0 256.400 2.301 10 30 CEEERN CC(C)N[C@](C)(C#N)CCSc1ncccn1 ZINC000045219568 175330076 /nfs/dbraw/zinc/33/00/76/175330076.db2.gz MMPHCAQANLQPCS-LBPRGKRZSA-N 0 0 250.371 2.239 10 30 CEEERN C[C@@](N)(C#N)CCCCn1ccc(C(F)(F)F)n1 ZINC000045322791 175359816 /nfs/dbraw/zinc/35/98/16/175359816.db2.gz GPZBFMKNGYDLGS-JTQLQIEISA-N 0 0 260.263 2.313 10 30 CEEERN C[C@@](N)(C#N)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000045331344 175360444 /nfs/dbraw/zinc/36/04/44/175360444.db2.gz NDZDHSXEMQBRSQ-LBPRGKRZSA-N 0 0 267.260 2.134 10 30 CEEERN C[C@@H](NC(=O)Cc1ccc(C#N)cc1)c1nccs1 ZINC000070941911 176015234 /nfs/dbraw/zinc/01/52/34/176015234.db2.gz TXDRDLLDQOJXDP-SNVBAGLBSA-N 0 0 271.345 2.435 10 30 CEEERN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nccs1 ZINC000070942235 176015464 /nfs/dbraw/zinc/01/54/64/176015464.db2.gz LAXYZCCCKWFKKK-SECBINFHSA-N 0 0 293.373 2.054 10 30 CEEERN C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1C#CCCO ZINC000071210903 176082781 /nfs/dbraw/zinc/08/27/81/176082781.db2.gz NESYIZLMDJDBMF-MLGOLLRUSA-N 0 0 289.350 2.478 10 30 CEEERN C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#CCCO)cc1F ZINC000071210911 176082922 /nfs/dbraw/zinc/08/29/22/176082922.db2.gz BFZVQGIWVGFEOC-MLGOLLRUSA-N 0 0 289.350 2.478 10 30 CEEERN O=C1CCCCCN1c1ccccc1C#CCCO ZINC000071278288 176107809 /nfs/dbraw/zinc/10/78/09/176107809.db2.gz SKWCCMLNSNEMMM-UHFFFAOYSA-N 0 0 257.333 2.328 10 30 CEEERN N#Cc1ccc(NC(=O)CCCn2ccsc2=O)cc1 ZINC000071350976 176134637 /nfs/dbraw/zinc/13/46/37/176134637.db2.gz YVDRGSZGCKVTEB-UHFFFAOYSA-N 0 0 287.344 2.200 10 30 CEEERN Cc1sc(=O)n(Cc2sccc2C#CCCO)c1C ZINC000071351790 176134971 /nfs/dbraw/zinc/13/49/71/176134971.db2.gz VVYVHLZDHLRNHL-UHFFFAOYSA-N 0 0 293.413 2.370 10 30 CEEERN C=CCN(CC=C)C(=O)c1c(C)nc2c(OC)cccn21 ZINC000071462506 176179625 /nfs/dbraw/zinc/17/96/25/176179625.db2.gz HVJLMAFBARHZGM-UHFFFAOYSA-N 0 0 285.347 2.466 10 30 CEEERN C=CCN(CCC(=O)OCC)C(=O)c1ccc(OC)cc1 ZINC000071610934 176231707 /nfs/dbraw/zinc/23/17/07/176231707.db2.gz ZNGMYWOCBBEOCX-UHFFFAOYSA-N 0 0 291.347 2.277 10 30 CEEERN C[C@H](O)CN1C(=O)c2c(ccc3ccccc23)[C@H]1C#N ZINC000071679874 176244024 /nfs/dbraw/zinc/24/40/24/176244024.db2.gz RBZQVXLIHTTWDH-IINYFYTJSA-N 0 0 266.300 2.241 10 30 CEEERN CN(C)c1cccc2c1C(=O)N(Cc1ccncc1)[C@@H]2C#N ZINC000071679306 176244338 /nfs/dbraw/zinc/24/43/38/176244338.db2.gz CVTJJSNXTAKOON-OAHLLOKOSA-N 0 0 292.342 2.368 10 30 CEEERN CN(CCC#N)C(=O)Cn1ccc2cc(F)ccc21 ZINC000075234203 176676217 /nfs/dbraw/zinc/67/62/17/176676217.db2.gz UNAISKCANAIOOR-UHFFFAOYSA-N 0 0 259.284 2.152 10 30 CEEERN N#C[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1 ZINC000078233577 177327502 /nfs/dbraw/zinc/32/75/02/177327502.db2.gz HJLUAUCZRIXDGR-ZDUSSCGKSA-N 0 0 270.398 2.275 10 30 CEEERN CC[C@H]1CCC(=O)N(Cc2ccnc(C#N)c2)CC1 ZINC000079225580 177450482 /nfs/dbraw/zinc/45/04/82/177450482.db2.gz QJYJYKGWQZFHRB-LBPRGKRZSA-N 0 0 257.337 2.492 10 30 CEEERN C[C@H]1CCC(=O)N(Cc2ccccc2C#CCO)CC1 ZINC000079247605 177456534 /nfs/dbraw/zinc/45/65/34/177456534.db2.gz BOQGGTZCPOLXPA-AWEZNQCLSA-N 0 0 271.360 2.179 10 30 CEEERN N#C[C@H]1CCCCN1C(=O)c1ccc2nccnc2c1 ZINC000079809436 177563185 /nfs/dbraw/zinc/56/31/85/177563185.db2.gz WVSSFFLFKSZDAQ-GFCCVEGCSA-N 0 0 266.304 2.148 10 30 CEEERN Cc1ccn(CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000079986038 177592237 /nfs/dbraw/zinc/59/22/37/177592237.db2.gz PCJQOJOYKMEHHI-UHFFFAOYSA-N 0 0 254.293 2.092 10 30 CEEERN N#Cc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000080153728 177615115 /nfs/dbraw/zinc/61/51/15/177615115.db2.gz WXJKITSIZYDUNQ-ZNMIVQPWSA-N 0 0 290.388 2.166 10 30 CEEERN O=C(NCCC1CCOCC1)N1CC[C@@H](O)C12CCCC2 ZINC000330356514 228164132 /nfs/dbraw/zinc/16/41/32/228164132.db2.gz RROBSBLDEFJHDW-CQSZACIVSA-N 0 0 296.411 2.097 10 30 CEEERN N#C[C@H]1CC[C@@H](Nc2ccc(N3CCCC3=O)cn2)C1 ZINC000333544802 228203613 /nfs/dbraw/zinc/20/36/13/228203613.db2.gz OVCPIIAVHZCPMR-NWDGAFQWSA-N 0 0 270.336 2.313 10 30 CEEERN C=C(C)CN(C)C(=O)C1CCC(C(=O)OC)CC1 ZINC000180396607 260100558 /nfs/dbraw/zinc/10/05/58/260100558.db2.gz PYXAGQJGRAHYPY-UHFFFAOYSA-N 0 0 253.342 2.000 10 30 CEEERN Cc1ccccc1[C@H](C)NS(=O)(=O)CC1(C#N)CC1 ZINC000180388738 261856743 /nfs/dbraw/zinc/85/67/43/261856743.db2.gz AFQAXXAWCKHWRY-LBPRGKRZSA-N 0 0 278.377 2.279 10 30 CEEERN COc1ccc(OCCC(=O)N(C)[C@H](C)CC#N)cc1 ZINC000264131284 262878238 /nfs/dbraw/zinc/87/82/38/262878238.db2.gz YWGZBZCWUSEDIL-GFCCVEGCSA-N 0 0 276.336 2.225 10 30 CEEERN C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C#N)N1CCCCC1=O ZINC000328741006 263852046 /nfs/dbraw/zinc/85/20/46/263852046.db2.gz ITBPLNCNWADJNM-JHJVBQTASA-N 0 0 277.368 2.426 10 30 CEEERN Cc1ocnc1CNC(=O)C[C@H](C)N1CCCCC1=O ZINC000328763434 263857841 /nfs/dbraw/zinc/85/78/41/263857841.db2.gz OFMQKRPIMYROSA-JTQLQIEISA-N 0 0 279.340 2.231 10 30 CEEERN C[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1O ZINC000305828370 277747528 /nfs/dbraw/zinc/74/75/28/277747528.db2.gz NWQJCSDGBHMEDP-DOMZBBRYSA-N 0 0 284.359 2.085 10 30 CEEERN N#Cc1nccnc1N[C@@H]1CCCc2cc(N)ccc21 ZINC000159489984 279550170 /nfs/dbraw/zinc/55/01/70/279550170.db2.gz QTPDYDICWOZHGC-CYBMUJFWSA-N 0 0 265.320 2.420 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000329413666 280391213 /nfs/dbraw/zinc/39/12/13/280391213.db2.gz DSXKZODABCUINI-OUCADQQQSA-N 0 0 282.384 2.013 10 30 CEEERN CC1(C)CN(C(=O)NCCC#N)CC2(CCCC2)O1 ZINC000335737769 281172392 /nfs/dbraw/zinc/17/23/92/281172392.db2.gz VVJDACDKYZWCPZ-UHFFFAOYSA-N 0 0 265.357 2.033 10 30 CEEERN C#CCNC(=O)CNc1ccc2c(Cl)ccnc2c1F ZINC000302760723 328832881 /nfs/dbraw/zinc/83/28/81/328832881.db2.gz XCIUGHXJUUQSGU-UHFFFAOYSA-N 0 0 291.713 2.189 10 30 CEEERN O=C(C#Cc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000176370435 329175070 /nfs/dbraw/zinc/17/50/70/329175070.db2.gz BBCUPPCSACBTAX-UHFFFAOYSA-N 0 0 279.343 2.167 10 30 CEEERN C=CCCCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178304166 329195892 /nfs/dbraw/zinc/19/58/92/329195892.db2.gz RMYBVILWKROALH-CQSZACIVSA-N 0 0 260.337 2.418 10 30 CEEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000185917063 329332551 /nfs/dbraw/zinc/33/25/51/329332551.db2.gz WYHHBWCBMYZCTD-MCIONIFRSA-N 0 0 251.370 2.256 10 30 CEEERN C=CCC1(C(=O)N2CCN3CCCC[C@@H]3C2)CCC1 ZINC000190438991 329396838 /nfs/dbraw/zinc/39/68/38/329396838.db2.gz NNZCVGRZGDCJMU-CQSZACIVSA-N 0 0 262.397 2.430 10 30 CEEERN N#CCC(=O)[C@H]1CCCN(c2c(F)cccc2F)C1=O ZINC000536950833 330382293 /nfs/dbraw/zinc/38/22/93/330382293.db2.gz LZPMQKDDWDPBIF-SECBINFHSA-N 0 0 278.258 2.191 10 30 CEEERN C=CCS(=O)(=O)N(C)CCCCc1ccccc1 ZINC000435658367 330659542 /nfs/dbraw/zinc/65/95/42/330659542.db2.gz ZKZXCEVUMLBKQM-UHFFFAOYSA-N 0 0 267.394 2.457 10 30 CEEERN C#CCN(Cc1nnnn1C(C)C)Cc1ccc(F)cc1 ZINC000195116218 333245603 /nfs/dbraw/zinc/24/56/03/333245603.db2.gz SMDVMEMLFKEBSZ-UHFFFAOYSA-N 0 0 287.342 2.029 10 30 CEEERN Cc1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000193640147 333254474 /nfs/dbraw/zinc/25/44/74/333254474.db2.gz BRNCKKAVQWJHCV-DOMZBBRYSA-N 0 0 277.368 2.293 10 30 CEEERN CC(C)N[C@H](C#N)Cn1cc(-c2ccccc2)cn1 ZINC000054961839 519738027 /nfs/dbraw/zinc/73/80/27/519738027.db2.gz GRLXYSWATSQBIG-OAHLLOKOSA-N 0 0 254.337 2.440 10 30 CEEERN CCCN[C@@H](C#N)CCOc1cccc(N(C)C)c1 ZINC000062449446 519983614 /nfs/dbraw/zinc/98/36/14/519983614.db2.gz QHLMFGVRYCMXRV-CYBMUJFWSA-N 0 0 261.369 2.413 10 30 CEEERN CCC(C)(C)NC(=O)CNc1ccc(CC#N)cc1 ZINC000048695445 521317752 /nfs/dbraw/zinc/31/77/52/521317752.db2.gz GAWADVLFQAOXKF-UHFFFAOYSA-N 0 0 259.353 2.469 10 30 CEEERN CC[C@@H](C)N(CC)C(=O)c1cncc(C#CCCO)c1 ZINC000049628665 522081903 /nfs/dbraw/zinc/08/19/03/522081903.db2.gz HELIVDGBGITBQA-CYBMUJFWSA-N 0 0 274.364 2.076 10 30 CEEERN C[C@H](CC(=O)NC[C@H]1CCCC1=O)N1CCCCC1=O ZINC000330041644 534299190 /nfs/dbraw/zinc/29/91/90/534299190.db2.gz BTRYBKJLMBVQBQ-VXGBXAGGSA-N 0 0 280.368 2.103 10 30 CEEERN C#CCC[C@@H](O)c1cc(OC)c(OC)cc1OC ZINC000068859415 518253626 /nfs/dbraw/zinc/25/36/26/518253626.db2.gz HBCSWMKFWJFXEJ-LLVKDONJSA-N 0 0 250.294 2.159 10 30 CEEERN C=CCC(=O)Nc1cccc(OCC(=O)OCC)c1 ZINC000054401190 518685275 /nfs/dbraw/zinc/68/52/75/518685275.db2.gz OFQYGECMRYFMJM-UHFFFAOYSA-N 0 0 263.293 2.143 10 30 CEEERN C=CCN[C@](C)(C(=O)OC)c1cc(F)ccc1F ZINC000051961431 518960593 /nfs/dbraw/zinc/96/05/93/518960593.db2.gz YPXJXMOVDFIWNV-ZDUSSCGKSA-N 0 0 255.264 2.129 10 30 CEEERN C=CCN[C@](C)(C(=O)OC)c1cc(C)ccc1OC ZINC000051961434 518961710 /nfs/dbraw/zinc/96/17/10/518961710.db2.gz OAXWPHZHYQWUDG-HNNXBMFYSA-N 0 0 263.337 2.167 10 30 CEEERN CC(C)N[C@@](C#N)(CSc1nncs1)C1CC1 ZINC000069091862 519735802 /nfs/dbraw/zinc/73/58/02/519735802.db2.gz GVBGOQVJBUEAOT-NSHDSACASA-N 0 0 268.411 2.301 10 30 CEEERN CCCN[C@@H](C#N)CCSc1ncc(C)cn1 ZINC000062457654 519984072 /nfs/dbraw/zinc/98/40/72/519984072.db2.gz PBMWGFARZLDZET-LLVKDONJSA-N 0 0 250.371 2.159 10 30 CEEERN CCN[C@@H](C#N)CCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000062448688 520058439 /nfs/dbraw/zinc/05/84/39/520058439.db2.gz ASCRFRSMOGNTDZ-LLVKDONJSA-N 0 0 263.297 2.174 10 30 CEEERN CCN[C@@](C#N)(COc1ccc2c(c1)OCO2)C1CC1 ZINC000069086385 520128538 /nfs/dbraw/zinc/12/85/38/520128538.db2.gz IDPXXBLKYMXATC-HNNXBMFYSA-N 0 0 274.320 2.076 10 30 CEEERN CCN[C@@](C)(C#N)C[C@@H](C)Sc1nnc2ccccn21 ZINC000068626572 520129627 /nfs/dbraw/zinc/12/96/27/520129627.db2.gz XNUVOMNSJVPWJM-BXUZGUMPSA-N 0 0 289.408 2.492 10 30 CEEERN CCCNc1cc(C(=O)N(CC)CCC#N)ccn1 ZINC000050786027 520130035 /nfs/dbraw/zinc/13/00/35/520130035.db2.gz RRKAANBMFWAVJS-UHFFFAOYSA-N 0 0 260.341 2.279 10 30 CEEERN CCN[C@](C)(C#N)C[C@H](C)Sc1ncnc2[nH]cnc21 ZINC000068626104 520227177 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C=CCO[C@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000038247614 343433540 /nfs/dbraw/zinc/43/35/40/343433540.db2.gz ASMHFNVGEKVFSH-NSHDSACASA-N 0 0 280.257 2.344 10 30 CEEERN COC(=O)COc1ccc2cc(C#N)ccc2c1C#N ZINC000038285424 343434085 /nfs/dbraw/zinc/43/40/85/343434085.db2.gz REKGISFIPNECNU-UHFFFAOYSA-N 0 0 266.256 2.135 10 30 CEEERN O=CCCOc1ccccc1I ZINC000062545814 343671947 /nfs/dbraw/zinc/67/19/47/343671947.db2.gz LJKUDZKSMJLVJZ-UHFFFAOYSA-N 0 0 276.073 2.259 10 30 CEEERN CCCCCCCOC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000059568451 343653340 /nfs/dbraw/zinc/65/33/40/343653340.db2.gz ANWFBSLGKBPIQG-CYBMUJFWSA-N 0 0 291.413 2.260 10 30 CEEERN C#CCOc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000126970645 187274057 /nfs/dbraw/zinc/27/40/57/187274057.db2.gz GMTARUOSTSATRA-ZIAGYGMSSA-N 0 0 259.349 2.308 10 30 CEEERN N#Cc1ccnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC000095919966 344237854 /nfs/dbraw/zinc/23/78/54/344237854.db2.gz VRMPUNGIEUXWHM-UHFFFAOYSA-N 0 0 283.312 2.145 10 30 CEEERN N#Cc1cn(S(=O)(=O)c2ccccc2)c2cccnc12 ZINC000095920145 344237878 /nfs/dbraw/zinc/23/78/78/344237878.db2.gz QEMUPHGYPXQUBV-UHFFFAOYSA-N 0 0 283.312 2.145 10 30 CEEERN Cc1cc(C#N)cc(Oc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1 ZINC000113975040 344278703 /nfs/dbraw/zinc/27/87/03/344278703.db2.gz NREGJLDFAQBKOS-UHFFFAOYSA-N 0 0 285.303 2.159 10 30 CEEERN C#C[C@H](O)c1ncc(Br)cc1Br ZINC000129963080 344348075 /nfs/dbraw/zinc/34/80/75/344348075.db2.gz MDFUECQAJCPPCR-ZETCQYMHSA-N 0 0 290.942 2.273 10 30 CEEERN C#CCOc1c(Br)cccc1[N+](=O)[O-] ZINC000133622149 344369767 /nfs/dbraw/zinc/36/97/67/344369767.db2.gz WGIWWSYBHUZQJQ-UHFFFAOYSA-N 0 0 256.055 2.369 10 30 CEEERN CCOS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000142711801 344403722 /nfs/dbraw/zinc/40/37/22/344403722.db2.gz BIVDDFZOCLSYAV-UHFFFAOYSA-N 0 0 254.229 2.431 10 30 CEEERN CC(C)C[C@@H](C#N)OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000147555851 344412242 /nfs/dbraw/zinc/41/22/42/344412242.db2.gz UOWWEHNLAIYQLO-JTQLQIEISA-N 0 0 298.320 2.238 10 30 CEEERN CC1CC(C#N)(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000160643690 344459850 /nfs/dbraw/zinc/45/98/50/344459850.db2.gz HWCXWJJUUNKQNG-QFXNTCPOSA-N 0 0 276.380 2.080 10 30 CEEERN Cc1nc(Br)cc(N(C)[C@H](C)CC#N)n1 ZINC000160690919 344460550 /nfs/dbraw/zinc/46/05/50/344460550.db2.gz ZULLRSGSSOWMGP-SSDOTTSWSA-N 0 0 269.146 2.286 10 30 CEEERN CC#CCOc1ccc(I)nc1 ZINC000166021105 344475482 /nfs/dbraw/zinc/47/54/82/344475482.db2.gz HFAFTEZOHJDCSH-UHFFFAOYSA-N 0 0 273.073 2.088 10 30 CEEERN C#CCNCc1c(F)ccc(Br)c1F ZINC000230305717 344572448 /nfs/dbraw/zinc/57/24/48/344572448.db2.gz RWKGGFKRPSJJFP-UHFFFAOYSA-N 0 0 260.081 2.450 10 30 CEEERN C#C[C@@H](NN)c1cc(Cl)ccc1Br ZINC000236177432 344594878 /nfs/dbraw/zinc/59/48/78/344594878.db2.gz CSWHJPWNLPLJNA-SECBINFHSA-N 0 0 259.534 2.240 10 30 CEEERN N#CCc1ccc(NS(=O)(=O)N2CCCCCC2)cc1 ZINC000051606153 362432639 /nfs/dbraw/zinc/43/26/39/362432639.db2.gz MVKWKMGBMVYWGM-UHFFFAOYSA-N 0 0 293.392 2.285 10 30 CEEERN O=C[C@H](O)c1ccc(Br)c(Cl)c1F ZINC000236547158 344596138 /nfs/dbraw/zinc/59/61/38/344596138.db2.gz YOMNIWCARCDFQX-LURJTMIESA-N 0 0 267.481 2.474 10 30 CEEERN COC(=O)Cc1cc(Br)ccc1C#N ZINC000238384001 344606540 /nfs/dbraw/zinc/60/65/40/344606540.db2.gz NUKHVKZLMROPIH-UHFFFAOYSA-N 0 0 254.083 2.036 10 30 CEEERN N#Cc1cc(Br)c([O-])c([C@H]2CCC[NH2+]2)c1 ZINC000308775217 344728591 /nfs/dbraw/zinc/72/85/91/344728591.db2.gz SFIKEDCLNJYKGN-SNVBAGLBSA-N 0 0 267.126 2.451 10 30 CEEERN Cc1nc(NC(=O)C#CBr)sc1C ZINC000306491895 344713907 /nfs/dbraw/zinc/71/39/07/344713907.db2.gz OZWIKQKKKPHLEW-UHFFFAOYSA-N 0 0 259.128 2.054 10 30 CEEERN C#CC[C@@H](NN)c1c(C)cccc1Br ZINC000306586607 344715273 /nfs/dbraw/zinc/71/52/73/344715273.db2.gz UHGHIRGLNGTEJR-SNVBAGLBSA-N 0 0 253.143 2.285 10 30 CEEERN C[C@@H](NC(=O)C#CBr)C1CCCCC1 ZINC000306727989 344716904 /nfs/dbraw/zinc/71/69/04/344716904.db2.gz NCBJRCWFAAZKLV-SECBINFHSA-N 0 0 258.159 2.427 10 30 CEEERN Cc1ccc(CC(=O)NC[C@H]2CCn3ccnc3C2)cn1 ZINC000328623446 344755505 /nfs/dbraw/zinc/75/55/05/344755505.db2.gz JECYUWHYULFDMO-AWEZNQCLSA-N 0 0 284.363 2.348 10 30 CEEERN N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1F ZINC000404089819 344877590 /nfs/dbraw/zinc/87/75/90/344877590.db2.gz TVTXVQZCTSMCPP-CLLJXQQHSA-N 0 0 258.296 2.360 10 30 CEEERN N#Cc1ccc(N)c(I)c1Cl ZINC000514261129 344924828 /nfs/dbraw/zinc/92/48/28/344924828.db2.gz QMFQAGKULBVMLL-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN Cc1cccc(N2CCC[C@@H](C(=O)C(C)C#N)C2=O)c1 ZINC000536950813 344932956 /nfs/dbraw/zinc/93/29/56/344932956.db2.gz LTJQXUKCKZBFJH-JSGCOSHPSA-N 0 0 270.332 2.467 10 30 CEEERN Cc1c2cc(C#N)cc(Br)c2n(C)c1C(N)=O ZINC000584618669 344966592 /nfs/dbraw/zinc/96/65/92/344966592.db2.gz LMLUFJIBGUWQBP-UHFFFAOYSA-N 0 0 292.136 2.220 10 30 CEEERN O=C1NC(=O)N(/N=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000584623245 344967725 /nfs/dbraw/zinc/96/77/25/344967725.db2.gz LYBDKGRSKCHJAP-LZNAANCOSA-N 0 0 293.326 2.356 10 30 CEEERN Cn1nc(Br)cc1N1CCC(C)(C#N)CC1 ZINC000584636431 344971306 /nfs/dbraw/zinc/97/13/06/344971306.db2.gz FIQQJLFWCYYGDV-UHFFFAOYSA-N 0 0 283.173 2.313 10 30 CEEERN C[C@@H]1C=C[C@H](C(C)(C)ON=C([N+](=O)[O-])[N+](=O)[O-])CC1 ZINC000584657811 344974176 /nfs/dbraw/zinc/97/41/76/344974176.db2.gz ISIOKVNEEPMZGY-BDAKNGLRSA-N 0 0 271.273 2.208 10 30 CEEERN CC(/C=N/N(C)C)=C\[C@H](C)S(=O)(=O)c1ccccc1 ZINC000584655465 344974221 /nfs/dbraw/zinc/97/42/21/344974221.db2.gz ASRLDYLICBTEGY-SFPCQZTCSA-N 0 0 280.393 2.343 10 30 CEEERN CC[C@@H](CC#N)[S@](=O)c1ccccc1[N+](=O)[O-] ZINC000084264135 178834179 /nfs/dbraw/zinc/83/41/79/178834179.db2.gz GDKGKVJJANMURH-HUTHGQBESA-N 0 0 252.295 2.395 10 30 CEEERN CC(C)[S@](=O)CCOc1ccc(CC#N)cc1 ZINC000084266476 178834481 /nfs/dbraw/zinc/83/44/81/178834481.db2.gz XMRKEEGEJAVGAT-KRWDZBQOSA-N 0 0 251.351 2.289 10 30 CEEERN CCN(CC(F)(F)F)[C@@H](C)C[C@@](C)(C#N)NC ZINC000084293135 178845332 /nfs/dbraw/zinc/84/53/32/178845332.db2.gz UJLLJPJKFNTQTN-UWVGGRQHSA-N 0 0 251.296 2.151 10 30 CEEERN COCc1nn(-c2cccc(C#N)c2)c(Cl)c1[N+](=O)[O-] ZINC000097100291 185530551 /nfs/dbraw/zinc/53/05/51/185530551.db2.gz FFKMDXCNURANEK-UHFFFAOYSA-N 0 0 292.682 2.452 10 30 CEEERN N#Cc1ccc(N2C(=O)CC3(CCCC3)CC2=O)c(N)c1 ZINC000096601625 136520957 /nfs/dbraw/zinc/52/09/57/136520957.db2.gz VXXMZTJYVOJOLW-UHFFFAOYSA-N 0 0 283.331 2.354 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1c(F)cccc1F ZINC000061889087 362696161 /nfs/dbraw/zinc/69/61/61/362696161.db2.gz AVKLLYZJWNSLQC-LDYMZIIASA-N 0 0 250.248 2.387 10 30 CEEERN C=CCCCn1cnc(C)c(Br)c1=O ZINC000085464124 179069793 /nfs/dbraw/zinc/06/97/93/179069793.db2.gz OWZJCOAVLKKHPY-UHFFFAOYSA-N 0 0 257.131 2.280 10 30 CEEERN C=CCN1C(=O)C2(CCCC2)NC(=O)[C@H]1c1ccccc1 ZINC000085756706 179149819 /nfs/dbraw/zinc/14/98/19/179149819.db2.gz SWYQBYNGCMDAFB-CQSZACIVSA-N 0 0 284.359 2.185 10 30 CEEERN C=CCN1C(=O)[C@@](C)(C2CC2)NC(=O)[C@@H]1C1CCCCC1 ZINC000085762075 179153463 /nfs/dbraw/zinc/15/34/63/179153463.db2.gz ZYMXPMDFIKOVNW-WMLDXEAASA-N 0 0 290.407 2.248 10 30 CEEERN C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)c1cccs1 ZINC000336816111 365858107 /nfs/dbraw/zinc/85/81/07/365858107.db2.gz KOJYHOICWOQRGN-SECBINFHSA-N 0 0 293.373 2.054 10 30 CEEERN NC(=NO)c1nccc2c(Br)c(F)ccc21 ZINC000521401137 539556808 /nfs/dbraw/zinc/55/68/08/539556808.db2.gz LWJTWOJCSZCAME-UHFFFAOYSA-N 0 0 284.088 2.231 10 30 CEEERN N#C[C@]1([C@@H](O)c2ccc(Br)o2)CCOC1 ZINC000085884249 179195891 /nfs/dbraw/zinc/19/58/91/179195891.db2.gz CRHROODIGUOECC-VHSXEESVSA-N 0 0 272.098 2.006 10 30 CEEERN N#CC[C@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000085878188 179196394 /nfs/dbraw/zinc/19/63/94/179196394.db2.gz CFGGXZCJUNIERW-QMMMGPOBSA-N 0 0 270.082 2.125 10 30 CEEERN CCOC[C@@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000085920338 179199422 /nfs/dbraw/zinc/19/94/22/179199422.db2.gz FPVTXJQDWMDSGQ-SNVBAGLBSA-N 0 0 256.309 2.338 10 30 CEEERN C[C@H]1[C@H](NC(=O)c2ccc(C#CCO)c(F)c2)CC[C@@H]1C ZINC000086081097 179227294 /nfs/dbraw/zinc/22/72/94/179227294.db2.gz CXOILWQWUAWRFZ-HWWQOWPSSA-N 0 0 289.350 2.334 10 30 CEEERN C[C@H]1[C@H](NC(=O)c2sccc2C#CCO)CC[C@@H]1C ZINC000086081101 179227424 /nfs/dbraw/zinc/22/74/24/179227424.db2.gz PRDZJNPAAAOSDR-DMDPSCGWSA-N 0 0 277.389 2.256 10 30 CEEERN COC(=O)C(C)(C)NC1CC(C#N)(c2ccccc2)C1 ZINC000086037072 179221715 /nfs/dbraw/zinc/22/17/15/179221715.db2.gz UTBDWHXZKSIEIS-UHFFFAOYSA-N 0 0 272.348 2.152 10 30 CEEERN C[C@@H]1CC[C@@H](NC(=O)c2cc(C#CCO)ccc2F)[C@@H]1C ZINC000086081072 179227766 /nfs/dbraw/zinc/22/77/66/179227766.db2.gz DQXXXBQDKFGPAP-XHBSWPGZSA-N 0 0 289.350 2.334 10 30 CEEERN OCCC#Cc1ccsc1CSC1COC1 ZINC000086195619 179248391 /nfs/dbraw/zinc/24/83/91/179248391.db2.gz BVHMRWCCYRBAKX-UHFFFAOYSA-N 0 0 254.376 2.114 10 30 CEEERN N#Cc1cnc2ccccc2c1N[C@H]1CCC[C@@H](O)C1 ZINC000610273843 347668275 /nfs/dbraw/zinc/66/82/75/347668275.db2.gz QZLZOHMDZRTJKH-QWHCGFSZSA-N 0 0 267.332 2.244 10 30 CEEERN COC[C@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000103362826 185833482 /nfs/dbraw/zinc/83/34/82/185833482.db2.gz PMWCISSZOAYLLN-QMMMGPOBSA-N 0 0 252.701 2.433 10 30 CEEERN N#C[C@@]1(N)CCC[C@@H]1CCSc1nncs1 ZINC000086535637 179306278 /nfs/dbraw/zinc/30/62/78/179306278.db2.gz SVCVUQHTWWHRKU-SCZZXKLOSA-N 0 0 254.384 2.041 10 30 CEEERN C#CC(C)(C)NC(=O)c1ccc(Br)cc1N ZINC000086705541 179322202 /nfs/dbraw/zinc/32/22/02/179322202.db2.gz GJMULBSNTQKRCJ-UHFFFAOYSA-N 0 0 281.153 2.173 10 30 CEEERN N#Cc1cc(N[C@@H]2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000613268857 348013614 /nfs/dbraw/zinc/01/36/14/348013614.db2.gz LTXJDVHGCYQSMT-PWSUYJOCSA-N 0 0 261.281 2.182 10 30 CEEERN COC(=O)C#Cc1cc(C)c(Br)s1 ZINC000087018742 179381243 /nfs/dbraw/zinc/38/12/43/179381243.db2.gz BIWSPCZGIZGKHP-UHFFFAOYSA-N 0 0 259.124 2.344 10 30 CEEERN C[C@H]1CCC[C@@](O)(CNc2ccc(N)cc2C#N)C1 ZINC000087047198 179387889 /nfs/dbraw/zinc/38/78/89/179387889.db2.gz YJHWLZXLPXNVCK-NHYWBVRUSA-N 0 0 259.353 2.494 10 30 CEEERN O=C(CC[C@H]1CCCO1)Nc1ccc(C#CCO)cc1F ZINC000087238111 179404213 /nfs/dbraw/zinc/40/42/13/179404213.db2.gz IOQRRSSUPAPMBX-CYBMUJFWSA-N 0 0 291.322 2.067 10 30 CEEERN CC(C)c1nnsc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000087442070 179426617 /nfs/dbraw/zinc/42/66/17/179426617.db2.gz ZGHQPHDABXBXBA-BDAKNGLRSA-N 0 0 264.354 2.084 10 30 CEEERN CCn1c2ccc(C#N)cc2nc1-c1cnns1 ZINC000087475966 179429943 /nfs/dbraw/zinc/42/99/43/179429943.db2.gz VNLATEMVCLDPCN-UHFFFAOYSA-N 0 0 255.306 2.446 10 30 CEEERN N#CC1(Nc2ccc(Br)cc2)COC1 ZINC000087597482 179452507 /nfs/dbraw/zinc/45/25/07/179452507.db2.gz GUXMBIKKBJKHKV-UHFFFAOYSA-N 0 0 253.099 2.154 10 30 CEEERN CC(C)n1c(SCCC(C)(C)C#N)n[nH]c1=O ZINC000087596278 179452762 /nfs/dbraw/zinc/45/27/62/179452762.db2.gz XJKZCVQRGGLTGZ-UHFFFAOYSA-N 0 0 254.359 2.184 10 30 CEEERN CC(C)(C#N)CCCN1C(=O)N[C@@](C)(C(F)(F)F)C1=O ZINC000087608893 179453044 /nfs/dbraw/zinc/45/30/44/179453044.db2.gz NDNZTHNDAWKEEW-LLVKDONJSA-N 0 0 291.273 2.189 10 30 CEEERN CS(=O)(=O)N1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616628296 348539578 /nfs/dbraw/zinc/53/95/78/348539578.db2.gz DZEJEKIAOVSXMM-CQSZACIVSA-N 0 0 278.377 2.087 10 30 CEEERN CS(=O)(=O)N1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616630243 348540254 /nfs/dbraw/zinc/54/02/54/348540254.db2.gz TYYCYTLGCQBRKN-CYBMUJFWSA-N 0 0 278.377 2.087 10 30 CEEERN CS(=O)(=O)N1CCCCC[C@H]1c1cccc(C#N)c1 ZINC000616622551 348538125 /nfs/dbraw/zinc/53/81/25/348538125.db2.gz DPJXIUPFULSSJQ-AWEZNQCLSA-N 0 0 278.377 2.435 10 30 CEEERN Cc1c(C#CCCO)cccc1C(=O)N(C)C(C)C ZINC000088442789 179603376 /nfs/dbraw/zinc/60/33/76/179603376.db2.gz FUGQJWZYIMDVJO-UHFFFAOYSA-N 0 0 259.349 2.209 10 30 CEEERN CSC[C@H](C)CNC(=O)c1cccc(C#CCO)c1C ZINC000088443514 179603585 /nfs/dbraw/zinc/60/35/85/179603585.db2.gz KOWJVIWYTNPJLZ-GFCCVEGCSA-N 0 0 291.416 2.068 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)N[C@H](C)c1ccccc1F ZINC000088477038 179611001 /nfs/dbraw/zinc/61/10/01/179611001.db2.gz HWKGVWGFDPCKGY-ZJUUUORDSA-N 0 0 270.329 2.108 10 30 CEEERN CCn1nc(C)c(Cl)c1CN1CCC[C@@H]1C#N ZINC000089278588 179763709 /nfs/dbraw/zinc/76/37/09/179763709.db2.gz GYKJHHKOSVLJLQ-SNVBAGLBSA-N 0 0 252.749 2.353 10 30 CEEERN COc1ccccc1N[C@](C)(C#N)CC(OC)OC ZINC000090266220 179942461 /nfs/dbraw/zinc/94/24/61/179942461.db2.gz GFAWYXIICDSVAD-AWEZNQCLSA-N 0 0 264.325 2.398 10 30 CEEERN 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180282947 /nfs/dbraw/zinc/28/29/47/180282947.db2.gz QZBOLOHBHVSLTD-CVEARBPZSA-N 0 0 275.348 2.154 10 30 CEEERN CC(C)(C)OC(=O)N1CC(O)(C2(C#N)CCCC2)C1 ZINC000091904008 180283309 /nfs/dbraw/zinc/28/33/09/180283309.db2.gz NGFIKDSXCUKNQA-UHFFFAOYSA-N 0 0 266.341 2.052 10 30 CEEERN Cc1ccc(OCc2cccnc2C#N)c(C=O)n1 ZINC000091997002 180302831 /nfs/dbraw/zinc/30/28/31/180302831.db2.gz UTFGQDNFZLBRMU-UHFFFAOYSA-N 0 0 253.261 2.048 10 30 CEEERN CCC[C@@H](C#N)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000092008598 180306269 /nfs/dbraw/zinc/30/62/69/180306269.db2.gz DQFOQMLNNYERHI-VIFPVBQESA-N 0 0 265.244 2.156 10 30 CEEERN N#CCc1ccc(S(=O)(=O)Nc2ccccc2N)cc1 ZINC000092130554 180329911 /nfs/dbraw/zinc/32/99/11/180329911.db2.gz NNMKVFSNSGXSON-UHFFFAOYSA-N 0 0 287.344 2.136 10 30 CEEERN C=CC[NH2+]CC(=O)N(C)Cc1ccccc1Br ZINC000105676539 186068249 /nfs/dbraw/zinc/06/82/49/186068249.db2.gz PFPXPRHHZAKWMO-UHFFFAOYSA-N 0 0 297.196 2.183 10 30 CEEERN Cc1nc(C)c(C(=O)N[C@@H](C#N)c2ccccc2)o1 ZINC000092175731 180337421 /nfs/dbraw/zinc/33/74/21/180337421.db2.gz CFUYHMCWKPIELS-LBPRGKRZSA-N 0 0 255.277 2.286 10 30 CEEERN COC(=O)[C@@H](C)CSc1nc(C)cc(C)c1C#N ZINC000105844373 186077591 /nfs/dbraw/zinc/07/75/91/186077591.db2.gz HTBSQTKXFGNXOA-VIFPVBQESA-N 0 0 264.350 2.471 10 30 CEEERN Cn1ncc(C#N)c1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000106036330 186099904 /nfs/dbraw/zinc/09/99/04/186099904.db2.gz IWGMMYJSALXWFX-UHFFFAOYSA-N 0 0 284.363 2.447 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N[C@H](CO)C(C)C ZINC000092401079 180377757 /nfs/dbraw/zinc/37/77/57/180377757.db2.gz NKSPIDNMFSXCFF-GFCCVEGCSA-N 0 0 254.374 2.230 10 30 CEEERN CC(C)(C)C(=O)CNC(=O)Nc1cccc(C#N)c1 ZINC000107804138 186192113 /nfs/dbraw/zinc/19/21/13/186192113.db2.gz RHTWLAKNMGHMAZ-UHFFFAOYSA-N 0 0 259.309 2.295 10 30 CEEERN CN(CCC(F)(F)F)CC(=O)Nc1ccccc1C#N ZINC000109120366 186243951 /nfs/dbraw/zinc/24/39/51/186243951.db2.gz HVAYFVFYISYJMY-UHFFFAOYSA-N 0 0 285.269 2.381 10 30 CEEERN N#Cc1c(F)cccc1Oc1ccc2c(c1)NC(=O)[C@@H]2N ZINC000109575871 186263908 /nfs/dbraw/zinc/26/39/08/186263908.db2.gz ODPXNWPHFWHYMQ-CQSZACIVSA-N 0 0 283.262 2.442 10 30 CEEERN Cc1ccc(NC(=O)N2CCN([C@@H](C)C#N)CC2)cc1 ZINC000109448494 186252791 /nfs/dbraw/zinc/25/27/91/186252791.db2.gz SDTPNJMHURKPKO-ZDUSSCGKSA-N 0 0 272.352 2.057 10 30 CEEERN Cc1ccc(C(=O)N2CCN([C@@H](C)C#N)CC2)cc1Cl ZINC000109445715 186253053 /nfs/dbraw/zinc/25/30/53/186253053.db2.gz OJNFCLNYGXFRKQ-LBPRGKRZSA-N 0 0 291.782 2.318 10 30 CEEERN CC(C)c1ccc(C(=O)N2CCN([C@@H](C)C#N)CC2)cc1 ZINC000109445116 186253136 /nfs/dbraw/zinc/25/31/36/186253136.db2.gz GEJUBSKPRZACMW-AWEZNQCLSA-N 0 0 285.391 2.480 10 30 CEEERN CC[C@@H](C#N)N1CCN(Cc2ccccc2OC)CC1 ZINC000109455411 186253807 /nfs/dbraw/zinc/25/38/07/186253807.db2.gz PPBUWKCHFGTBPR-HNNXBMFYSA-N 0 0 273.380 2.115 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2ccc(C#CCCO)cn2)CC1 ZINC000110817621 186326828 /nfs/dbraw/zinc/32/68/28/186326828.db2.gz LIZGBGPBIKPVQL-CQSZACIVSA-N 0 0 286.375 2.078 10 30 CEEERN CCOC(=O)[C@@H](C)n1c(CC#N)nc2ccccc21 ZINC000110950102 186335283 /nfs/dbraw/zinc/33/52/83/186335283.db2.gz PLBMQZUPXUEIBN-SNVBAGLBSA-N 0 0 257.293 2.226 10 30 CEEERN COc1cccn2c(N)c(-c3ccc(C#N)cc3)nc12 ZINC000110782895 186324051 /nfs/dbraw/zinc/32/40/51/186324051.db2.gz XAWFTNIAFMUFHM-UHFFFAOYSA-N 0 0 264.288 2.464 10 30 CEEERN Cc1ccc(NS(=O)(=O)C(C)(C)C)cc1C#CCCO ZINC000111073242 186351272 /nfs/dbraw/zinc/35/12/72/186351272.db2.gz TUVAZHSNNJLNOR-UHFFFAOYSA-N 0 0 295.404 2.269 10 30 CEEERN N#CCCN(C(=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000111187095 186367728 /nfs/dbraw/zinc/36/77/28/186367728.db2.gz LURDIYIDORNILV-AWEZNQCLSA-N 0 0 270.332 2.457 10 30 CEEERN Cc1nn(C)c2ncc(CN[C@@H]3CCC[C@@H]3C#N)cc12 ZINC000111339989 186401887 /nfs/dbraw/zinc/40/18/87/186401887.db2.gz AWIPOHZGYHCMIO-TZMCWYRMSA-N 0 0 269.352 2.059 10 30 CEEERN C=CCOc1ccccc1CNC(=O)N[C@H]1C[C@H]1C ZINC000111490480 186424335 /nfs/dbraw/zinc/42/43/35/186424335.db2.gz VQKLRXMPVUEYKE-YPMHNXCESA-N 0 0 260.337 2.459 10 30 CEEERN Cc1cc(C)c(C#N)c(N2CC[C@H](c3cnn(C)c3)C2)n1 ZINC000116265582 186702809 /nfs/dbraw/zinc/70/28/09/186702809.db2.gz YXIRMAICXQHEJZ-ZDUSSCGKSA-N 0 0 281.363 2.298 10 30 CEEERN CSCCN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000122930225 187060404 /nfs/dbraw/zinc/06/04/04/187060404.db2.gz WZMFAWPGVOKXDJ-UHFFFAOYSA-N 0 0 251.311 2.266 10 30 CEEERN C[C@H](Nc1ccc(C#N)cn1)c1nnc2n1CCCC2 ZINC000131061967 187538466 /nfs/dbraw/zinc/53/84/66/187538466.db2.gz OGOKGBKZYCMIPJ-JTQLQIEISA-N 0 0 268.324 2.054 10 30 CEEERN C=CCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000161869683 188548732 /nfs/dbraw/zinc/54/87/32/188548732.db2.gz FGZDJYVDKJLWAX-VXGBXAGGSA-N 0 0 282.384 2.324 10 30 CEEERN C[C@@H]1C[C@@H](CNC(=O)c2ccc(C#N)o2)C[C@H](C)O1 ZINC000336361737 213213205 /nfs/dbraw/zinc/21/32/05/213213205.db2.gz ACRMVBBZMAJRHE-JGPRNRPPSA-N 0 0 262.309 2.085 10 30 CEEERN CC(C)(C)OC(=O)N1CCC[C@]2(C1)OCC[C@@H]2C#N ZINC000675080671 540119786 /nfs/dbraw/zinc/11/97/86/540119786.db2.gz SJCNBKITYGDUHV-BXUZGUMPSA-N 0 0 266.341 2.316 10 30 CEEERN 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267.231 2.414 10 30 CEEERN CCOC(=O)Cc1c(CC)ccc(C#N)c1[N+](=O)[O-] ZINC000575388768 395663875 /nfs/dbraw/zinc/66/38/75/395663875.db2.gz DNGIGPFWVHUHPH-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN COC(=O)c1ccc(C#N)c([N+](=O)[O-])c1C(F)F ZINC000575389206 395664103 /nfs/dbraw/zinc/66/41/03/395664103.db2.gz FFAXKXXHIOCJQN-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COCOc1ccc(I)cc1C#N ZINC000575436237 395664287 /nfs/dbraw/zinc/66/42/87/395664287.db2.gz NIJMRGZBHFZFPI-UHFFFAOYSA-N 0 0 289.072 2.146 10 30 CEEERN CC(NCc1ccccc1)=C1C(=O)C=C(C)OC1=O ZINC000103171908 400257025 /nfs/dbraw/zinc/25/70/25/400257025.db2.gz UUVRBECEGDMLLS-SDNWHVSQSA-N 0 0 257.289 2.080 10 30 CEEERN N#Cc1cnccc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000364906173 156067798 /nfs/dbraw/zinc/06/77/98/156067798.db2.gz KEMGMMXJQINXFG-UKRRQHHQSA-N 0 0 257.337 2.085 10 30 CEEERN CC(C)c1nc([C@H]2CN(c3cccnc3C#N)CCO2)no1 ZINC000368171474 156295461 /nfs/dbraw/zinc/29/54/61/156295461.db2.gz RBWSJPDKYUDQGF-CYBMUJFWSA-N 0 0 299.334 2.038 10 30 CEEERN Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cccnc2)c1 ZINC000003392719 169884555 /nfs/dbraw/zinc/88/45/55/169884555.db2.gz ZHVAZJLASYSVEM-MHWRWJLKSA-N 0 0 289.360 2.011 10 30 CEEERN N#Cc1c(N)cccc1S(=O)(=O)c1ccccc1F ZINC000005933932 170158048 /nfs/dbraw/zinc/15/80/48/170158048.db2.gz MBHOZDSUDFTYGO-UHFFFAOYSA-N 0 0 276.292 2.112 10 30 in-vivo CEEERN N#CCSc1nnc(NN=Cc2c[nH]c3ccccc23)[nH]1 ZINC000006341869 170194067 /nfs/dbraw/zinc/19/40/67/170194067.db2.gz YDZKQWGOZDZSFG-LZYBPNLTSA-N 0 0 297.347 2.348 10 30 CEEERN COC(=O)CCS[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000007658629 170296591 /nfs/dbraw/zinc/29/65/91/170296591.db2.gz ZZTFDFBQOOSQCW-SNVBAGLBSA-N 0 0 292.360 2.182 10 30 CEEERN COC(=O)CCS[C@H](C)C(=O)Nc1ccccc1C#N ZINC000007658607 170296688 /nfs/dbraw/zinc/29/66/88/170296688.db2.gz CRWREYNRMAYJAC-SNVBAGLBSA-N 0 0 292.360 2.182 10 30 CEEERN C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)NC1CC1 ZINC000007856857 170305200 /nfs/dbraw/zinc/30/52/00/170305200.db2.gz GZBKZDSZVANIFT-MRVPVSSYSA-N 0 0 264.712 2.258 10 30 CEEERN C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)N(C)C ZINC000007857370 170305604 /nfs/dbraw/zinc/30/56/04/170305604.db2.gz GIVGRHVZIJQBHK-MRVPVSSYSA-N 0 0 252.701 2.067 10 30 CEEERN C=CCOc1cccc(NC(=S)NC(=O)CC)c1 ZINC000008905027 170357999 /nfs/dbraw/zinc/35/79/99/170357999.db2.gz GJUQAZCGZQLGKD-UHFFFAOYSA-N 0 0 264.350 2.474 10 30 CEEERN Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)nn1C ZINC000009001760 170361189 /nfs/dbraw/zinc/36/11/89/170361189.db2.gz JVLQRPXBMUNAQE-UHFFFAOYSA-N 0 0 286.360 2.403 10 30 CEEERN CCOC(=O)[C@H]1C(=O)CC(=O)C[C@H]1c1ccccc1 ZINC000016682671 170709186 /nfs/dbraw/zinc/70/91/86/170709186.db2.gz NUCIKJKECPWVFU-GXTWGEPZSA-N 0 0 260.289 2.364 10 30 CEEERN COc1cc([C@@H](C#N)NC(C)C)cc(OC)c1OC ZINC000020176086 171042455 /nfs/dbraw/zinc/04/24/55/171042455.db2.gz DUMXOICMROEXRQ-LLVKDONJSA-N 0 0 264.325 2.275 10 30 CEEERN C#CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1N ZINC000020422477 171189547 /nfs/dbraw/zinc/18/95/47/171189547.db2.gz AXONSEBNMZKTAG-MRVPVSSYSA-N 0 0 268.769 2.152 10 30 CEEERN COC[C@H]1CN(Cc2ccccc2C#N)CC(C)(C)O1 ZINC000284684671 196110776 /nfs/dbraw/zinc/11/07/76/196110776.db2.gz ZVCMHGCWUXDVPO-OAHLLOKOSA-N 0 0 274.364 2.184 10 30 CEEERN N#Cc1ccc(CS(=O)(=O)Nc2ccc(O)cc2)cc1 ZINC000020562264 171252315 /nfs/dbraw/zinc/25/23/15/171252315.db2.gz JGQHBBAXSPQJCI-UHFFFAOYSA-N 0 0 288.328 2.206 10 30 CEEERN C=CCn1c(SCC(=O)NC(C)C)nnc1C(C)(C)C ZINC000020839158 171275540 /nfs/dbraw/zinc/27/55/40/171275540.db2.gz OTWQEEHVBKBSCT-UHFFFAOYSA-N 0 0 296.440 2.378 10 30 CEEERN C[C@@H](Oc1ccc(F)cc1F)C(=O)/C=C\N(C)C ZINC000033373129 171787085 /nfs/dbraw/zinc/78/70/85/171787085.db2.gz LVWFDPFROZPTCW-ATJFRQLMSA-N 0 0 255.264 2.377 10 30 CEEERN S=C(N/N=C\c1ccccn1)NC1CCCCC1 ZINC000033493316 171806855 /nfs/dbraw/zinc/80/68/55/171806855.db2.gz XRLALZDCUVKSEP-GDNBJRDFSA-N 0 0 262.382 2.212 10 30 CEEERN N#Cc1ccc(F)c(Cn2ncc(=O)c3ccccc32)c1 ZINC000035180718 172035145 /nfs/dbraw/zinc/03/51/45/172035145.db2.gz ZBNUKXQPEGFYPC-UHFFFAOYSA-N 0 0 279.274 2.456 10 30 CEEERN CCOC(=O)CSCCC(=O)Nc1ccccc1C#N ZINC000035220137 172060955 /nfs/dbraw/zinc/06/09/55/172060955.db2.gz RRSCSSWRZWEHRW-UHFFFAOYSA-N 0 0 292.360 2.183 10 30 CEEERN Cc1n[nH]c(=S)n1N=Cc1ccc(N(C)C)cc1 ZINC000035387704 172169910 /nfs/dbraw/zinc/16/99/10/172169910.db2.gz IJHPLDBXDDKJGI-JYRVWZFOSA-N 0 0 261.354 2.197 10 30 CEEERN COc1ccc(C=Nn2c(C)n[nH]c2=S)c(OC)c1 ZINC000035418117 172190184 /nfs/dbraw/zinc/19/01/84/172190184.db2.gz USNMUULGRMUDNP-QPEQYQDCSA-N 0 0 278.337 2.149 10 30 CEEERN N#CC1(S(=O)(=O)c2ccc(F)c(F)c2)CCC1 ZINC000035676812 172348131 /nfs/dbraw/zinc/34/81/31/172348131.db2.gz MZLJMUPGMXOBDZ-UHFFFAOYSA-N 0 0 257.261 2.185 10 30 CEEERN C=CCNC(=O)[C@H](C)Sc1ccc(F)cc1N ZINC000037195145 173023541 /nfs/dbraw/zinc/02/35/41/173023541.db2.gz RDQJEOQJGUKKGF-QMMMGPOBSA-N 0 0 254.330 2.191 10 30 CEEERN O=C(Nc1ccc(C#CCCO)cc1)c1ccoc1 ZINC000037549956 173267919 /nfs/dbraw/zinc/26/79/19/173267919.db2.gz IHQMVDJWQJKVMS-UHFFFAOYSA-N 0 0 255.273 2.266 10 30 CEEERN CCC(CC)NC(=O)c1cccc(C#CCCO)c1 ZINC000037567024 173514987 /nfs/dbraw/zinc/51/49/87/173514987.db2.gz ZLEZQFNHIMJSDP-UHFFFAOYSA-N 0 0 259.349 2.339 10 30 CEEERN CCN(CC(C)C)C(=O)c1ccccc1C#CCO ZINC000037568380 173517465 /nfs/dbraw/zinc/51/74/65/173517465.db2.gz MBUHBHZYRAYIHS-UHFFFAOYSA-N 0 0 259.349 2.149 10 30 CEEERN C=C1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1C ZINC000038256088 174138268 /nfs/dbraw/zinc/13/82/68/174138268.db2.gz PYSRXJIWGMASCP-GFCCVEGCSA-N 0 0 251.351 2.192 10 30 CEEERN C=CCn1c(CNC(=O)C(C)C)nc2ccccc21 ZINC000040274662 174218590 /nfs/dbraw/zinc/21/85/90/174218590.db2.gz FPYTVCKMGWNTSH-UHFFFAOYSA-N 0 0 257.337 2.495 10 30 CEEERN C=CCNc1ncnc(NCc2ccco2)c1[N+](=O)[O-] ZINC000040598687 174349530 /nfs/dbraw/zinc/34/95/30/174349530.db2.gz XKGVGPBONJKNQS-UHFFFAOYSA-N 0 0 275.268 2.188 10 30 CEEERN C[C@@H]1CCN(C(=O)c2ccc(C#CCCO)cc2F)C1 ZINC000040726465 174387333 /nfs/dbraw/zinc/38/73/33/174387333.db2.gz YXNVAIRAXMWRPQ-GFCCVEGCSA-N 0 0 275.323 2.042 10 30 CEEERN C[C@@H]1CCN(C(=O)c2cc(C#CCCO)ccc2F)C1 ZINC000040726461 174387380 /nfs/dbraw/zinc/38/73/80/174387380.db2.gz BSDGEAIYCGYXIH-GFCCVEGCSA-N 0 0 275.323 2.042 10 30 CEEERN N#CCCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000042301565 174678046 /nfs/dbraw/zinc/67/80/46/174678046.db2.gz CONQDXMMXUVAND-UHFFFAOYSA-N 0 0 284.768 2.407 10 30 CEEERN N#CCCN(c1nc2ccccn2c1C=O)C1CC1 ZINC000042546493 174787472 /nfs/dbraw/zinc/78/74/72/174787472.db2.gz CKOFUGVWMWUUFA-UHFFFAOYSA-N 0 0 254.293 2.029 10 30 CEEERN C[C@H](C#N)CN(C)Cc1sccc1C#CCCO ZINC000043679970 175090197 /nfs/dbraw/zinc/09/01/97/175090197.db2.gz SNEAOOSXEFWRRT-GFCCVEGCSA-N 0 0 262.378 2.073 10 30 CEEERN CC(C)CN(CCC#N)Cc1ccc(C#CCO)s1 ZINC000043682146 175090980 /nfs/dbraw/zinc/09/09/80/175090980.db2.gz FAWDUKLOJHOLOB-UHFFFAOYSA-N 0 0 276.405 2.464 10 30 CEEERN C[C@H]1CN(C(=O)C2(C#N)CCCCCC2)CCO1 ZINC000044764596 175248444 /nfs/dbraw/zinc/24/84/44/175248444.db2.gz DFVIBVARMFYQCO-LBPRGKRZSA-N 0 0 250.342 2.098 10 30 CEEERN N#CC1(C(=O)NC2CCC(O)CC2)CCCCCC1 ZINC000044764609 175248599 /nfs/dbraw/zinc/24/85/99/175248599.db2.gz MPCSLBIJVCRADF-UHFFFAOYSA-N 0 0 264.369 2.270 10 30 CEEERN CC[C@H]1COCCN1C(=O)C1(C#N)CCCCC1 ZINC000044765902 175249118 /nfs/dbraw/zinc/24/91/18/175249118.db2.gz CQYWVTVRBQDGKO-LBPRGKRZSA-N 0 0 250.342 2.098 10 30 CEEERN Cc1nc(C)c([C@@H](C)NC(=O)C2(C#N)CCOCC2)s1 ZINC000044766709 175249387 /nfs/dbraw/zinc/24/93/87/175249387.db2.gz FCTXKMURJQPCRD-SNVBAGLBSA-N 0 0 293.392 2.258 10 30 CEEERN CC1(C)COCCN1C(=O)C1(C#N)CCCCC1 ZINC000044766253 175249414 /nfs/dbraw/zinc/24/94/14/175249414.db2.gz MCFQRHRNXQLJEQ-UHFFFAOYSA-N 0 0 250.342 2.098 10 30 CEEERN COC(=O)[C@H](CC(C)C)NC(=O)C1(C#N)CCCCC1 ZINC000044767345 175250063 /nfs/dbraw/zinc/25/00/63/175250063.db2.gz VKGGDKJCHQFYRG-LBPRGKRZSA-N 0 0 280.368 2.164 10 30 CEEERN N#C[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000044808739 175257659 /nfs/dbraw/zinc/25/76/59/175257659.db2.gz KETSNKNCDLVNFY-CYBMUJFWSA-N 0 0 254.289 2.278 10 30 CEEERN COc1ccc(CCNC(=O)[C@H](C#N)C(C)C)cc1OC ZINC000044809183 175257760 /nfs/dbraw/zinc/25/77/60/175257760.db2.gz YVNQWOCAGZARNU-CYBMUJFWSA-N 0 0 290.363 2.158 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1CCC(O)CC1 ZINC000044811655 175258001 /nfs/dbraw/zinc/25/80/01/175258001.db2.gz MDXRQCVMYIYFGI-UHFFFAOYSA-N 0 0 252.358 2.080 10 30 CEEERN CC(C)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000044812332 175258054 /nfs/dbraw/zinc/25/80/54/175258054.db2.gz PWCYPBSCTPTKIO-NSHDSACASA-N 0 0 260.293 2.192 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1CCC[C@H]1CO ZINC000044824166 175259242 /nfs/dbraw/zinc/25/92/42/175259242.db2.gz VQUHUAIFYWTEIO-LBPRGKRZSA-N 0 0 252.358 2.080 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1CCC(CC(N)=O)CC1 ZINC000044826403 175259768 /nfs/dbraw/zinc/25/97/68/175259768.db2.gz OABFEDONUBOHJG-UHFFFAOYSA-N 0 0 293.411 2.211 10 30 CEEERN Cc1nc(CN(C)C(=O)[C@H](C#N)C(C)C)cs1 ZINC000044828162 175259857 /nfs/dbraw/zinc/25/98/57/175259857.db2.gz DJGZWYZUKANQLS-LLVKDONJSA-N 0 0 251.355 2.206 10 30 CEEERN CCCN(CC#N)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000045092333 175306203 /nfs/dbraw/zinc/30/62/03/175306203.db2.gz QDFAIMKFYBJFOP-UHFFFAOYSA-N 0 0 261.281 2.279 10 30 CEEERN CCCN(CC#N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000045092377 175306244 /nfs/dbraw/zinc/30/62/44/175306244.db2.gz QSQCOMKCJMDSFL-UHFFFAOYSA-N 0 0 262.269 2.362 10 30 CEEERN CC1(C)C[C@@H]1NC(=O)c1ccc(C#CCCO)s1 ZINC000045140934 175315318 /nfs/dbraw/zinc/31/53/18/175315318.db2.gz SFQDXVNFFDITLQ-LBPRGKRZSA-N 0 0 263.362 2.010 10 30 CEEERN C[C@@H](C#N)N(C)C(=O)c1ccc(Br)cc1O ZINC000045142956 175316055 /nfs/dbraw/zinc/31/60/55/175316055.db2.gz HTJXCJAHVORWBX-ZETCQYMHSA-N 0 0 283.125 2.139 10 30 CEEERN CCCO[C@@H]1CCCN(C[C@@](C)(C#N)NC(C)C)C1 ZINC000045177969 175324274 /nfs/dbraw/zinc/32/42/74/175324274.db2.gz OTESZRLSWWUSHB-HUUCEWRRSA-N 0 0 267.417 2.158 10 30 CEEERN CCCN[C@](C)(C#N)CCN(C)CC(F)(F)F ZINC000045181433 175324617 /nfs/dbraw/zinc/32/46/17/175324617.db2.gz ZNYMGEKMKJJEMM-JTQLQIEISA-N 0 0 251.296 2.152 10 30 CEEERN CCN[C@](C#N)(CN1CCOC(C)(C)C1)c1ccccc1 ZINC000045181235 175325184 /nfs/dbraw/zinc/32/51/84/175325184.db2.gz BYHDWJMBOFTHNE-QGZVFWFLSA-N 0 0 287.407 2.126 10 30 CEEERN CCCN[C@@](C#N)(CN(CC)CCOC)c1ccccc1 ZINC000045182471 175325443 /nfs/dbraw/zinc/32/54/43/175325443.db2.gz VHQOWCDSYVUEDC-KRWDZBQOSA-N 0 0 289.423 2.373 10 30 CEEERN CN[C@@](C#N)(CN(CCOC)CC(C)C)c1ccccc1 ZINC000045182017 175325864 /nfs/dbraw/zinc/32/58/64/175325864.db2.gz YWFSOGFRFRBJKU-KRWDZBQOSA-N 0 0 289.423 2.229 10 30 CEEERN CCN[C@@](C)(C#N)CCn1ccc(C(F)(F)F)n1 ZINC000045207199 175328683 /nfs/dbraw/zinc/32/86/83/175328683.db2.gz SNFNDECRIOSTTL-SNVBAGLBSA-N 0 0 260.263 2.184 10 30 CEEERN CCCCOCCOCC[C@](C)(C#N)NCCC ZINC000045207603 175328921 /nfs/dbraw/zinc/32/89/21/175328921.db2.gz JERKMSMIYWKACN-CQSZACIVSA-N 0 0 256.390 2.492 10 30 CEEERN C[C@](N)(C#N)CCSc1ccccc1[N+](=O)[O-] ZINC000045216199 175329483 /nfs/dbraw/zinc/32/94/83/175329483.db2.gz ZXCMWDXYBQTKKS-LLVKDONJSA-N 0 0 251.311 2.318 10 30 CEEERN CCCN[C@@](C)(C#N)COc1ccc([N+](=O)[O-])cc1F ZINC000045214811 175329694 /nfs/dbraw/zinc/32/96/94/175329694.db2.gz MWDVWFVVELVFTP-ZDUSSCGKSA-N 0 0 281.287 2.395 10 30 CEEERN CC(C)N[C@@](C)(C#N)COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000045215683 175329719 /nfs/dbraw/zinc/32/97/19/175329719.db2.gz LHUFWOWGRBZJMV-AWEZNQCLSA-N 0 0 288.307 2.126 10 30 CEEERN Cc1cnc(SC[C@@](N)(C#N)c2ccccc2)nc1 ZINC000045220955 175329858 /nfs/dbraw/zinc/32/98/58/175329858.db2.gz ZLWFPTQGNKBFKH-AWEZNQCLSA-N 0 0 270.361 2.255 10 30 CEEERN C[C@](N)(C#N)CCCCn1cc(Br)cn1 ZINC000045322312 175359725 /nfs/dbraw/zinc/35/97/25/175359725.db2.gz CLIURUIPNXBSIC-SNVBAGLBSA-N 0 0 271.162 2.057 10 30 CEEERN CN[C@](C)(C#N)CCCOc1cccc([N+](=O)[O-])c1 ZINC000045331030 175360122 /nfs/dbraw/zinc/36/01/22/175360122.db2.gz RIDXLGRGDNKMJF-ZDUSSCGKSA-N 0 0 263.297 2.255 10 30 CEEERN CN[C@](C)(C#N)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000045331349 175360457 /nfs/dbraw/zinc/36/04/57/175360457.db2.gz CSHIKFCGNBTPSS-ZDUSSCGKSA-N 0 0 281.287 2.395 10 30 CEEERN CCCN[C@H](C#N)COc1cccc(C)c1[N+](=O)[O-] ZINC000045331538 175360463 /nfs/dbraw/zinc/36/04/63/175360463.db2.gz IJBPTMOIWOAWLH-LLVKDONJSA-N 0 0 263.297 2.174 10 30 CEEERN Cn1cc(SCc2cccc(C#CCO)c2)cn1 ZINC000049623847 175496277 /nfs/dbraw/zinc/49/62/77/175496277.db2.gz LHXZQAOKLUATLZ-UHFFFAOYSA-N 0 0 258.346 2.056 10 30 CEEERN CN(CC1CCC1)C(=O)c1cc(F)ccc1C#CCCO ZINC000061486932 175648725 /nfs/dbraw/zinc/64/87/25/175648725.db2.gz QKKSDTIKLWAROZ-UHFFFAOYSA-N 0 0 289.350 2.432 10 30 CEEERN N#Cc1cnc(C23CC4CC(CC(C4)C2)C3)nc1N ZINC000070494289 175956451 /nfs/dbraw/zinc/95/64/51/175956451.db2.gz IPVXIWGFJPECRE-UHFFFAOYSA-N 0 0 254.337 2.398 10 30 CEEERN COC(=O)C#Cc1ccc(Br)c(F)c1 ZINC000070835217 176008547 /nfs/dbraw/zinc/00/85/47/176008547.db2.gz PNLKOWLSVLRVEQ-UHFFFAOYSA-N 0 0 257.058 2.113 10 30 CEEERN COCCN(CCC#N)C[C@H]1OCCc2ccccc21 ZINC000071091311 176032051 /nfs/dbraw/zinc/03/20/51/176032051.db2.gz IMVPQYZGYLHBSO-MRXNPFEDSA-N 0 0 274.364 2.162 10 30 CEEERN CC(C)N(Cc1ccccc1N)c1cnc(C#N)cn1 ZINC000071178437 176055792 /nfs/dbraw/zinc/05/57/92/176055792.db2.gz PHSXWEGPKZKAJZ-UHFFFAOYSA-N 0 0 267.336 2.345 10 30 CEEERN N#Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000071264106 176097337 /nfs/dbraw/zinc/09/73/37/176097337.db2.gz DCORUYJTCXUCJN-QMTHXVAHSA-N 0 0 276.311 2.430 10 30 CEEERN Cc1ccc(C(=O)NCc2ccc(C#CCO)s2)s1 ZINC000071322251 176122769 /nfs/dbraw/zinc/12/27/69/176122769.db2.gz BMKCMQUOWPBBAK-UHFFFAOYSA-N 0 0 291.397 2.392 10 30 CEEERN N#C[C@@H](C1CCCCC1)N1C(=O)c2ccncc2C1=O ZINC000071336729 176128035 /nfs/dbraw/zinc/12/80/35/176128035.db2.gz REBDPJMJINEVDQ-ZDUSSCGKSA-N 0 0 269.304 2.150 10 30 CEEERN Cc1noc(CNc2nc3ccccc3cc2C#N)n1 ZINC000071385804 176147590 /nfs/dbraw/zinc/14/75/90/176147590.db2.gz VQRFXNINFHTFHK-UHFFFAOYSA-N 0 0 265.276 2.410 10 30 CEEERN N#Cc1ncccc1Cn1cc(-c2ccc(N)cc2)cn1 ZINC000071415075 176160021 /nfs/dbraw/zinc/16/00/21/176160021.db2.gz ZJNWRCJSXWIHJL-UHFFFAOYSA-N 0 0 275.315 2.447 10 30 CEEERN C=CCNC(=O)C=C(C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000071542372 176196008 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/nfs/dbraw/zinc/36/30/24/177363024.db2.gz AVIIDPLLCWGEEI-ZIAGYGMSSA-N 0 0 258.321 2.327 10 30 CEEERN CCn1nc(C)cc1C(=O)N[C@@H](C#N)c1ccccc1 ZINC000078637625 177363030 /nfs/dbraw/zinc/36/30/30/177363030.db2.gz HDHDXKOQFBQFPQ-ZDUSSCGKSA-N 0 0 268.320 2.206 10 30 CEEERN CC1(C)CCC(NC(=O)c2ccc(C#CCO)cn2)CC1 ZINC000079696609 177537846 /nfs/dbraw/zinc/53/78/46/177537846.db2.gz RJMHNLABOLMXKW-UHFFFAOYSA-N 0 0 286.375 2.124 10 30 CEEERN N#C[C@H]1CCCN1C(=O)COc1cccc(Cl)c1 ZINC000079806031 177562617 /nfs/dbraw/zinc/56/26/17/177562617.db2.gz HTXJBOLAVHBQST-LLVKDONJSA-N 0 0 264.712 2.233 10 30 CEEERN COc1ccc(C#CCO)cc1Cn1ncc(Cl)c1C ZINC000080014372 177594967 /nfs/dbraw/zinc/59/49/67/177594967.db2.gz WWEJWJXBYXENHF-UHFFFAOYSA-N 0 0 290.750 2.246 10 30 CEEERN O=C(NCCC1CCOCC1)NCC1(O)CCCCCC1 ZINC000329500411 226903186 /nfs/dbraw/zinc/90/31/86/226903186.db2.gz FZIMOAYEBCTNQJ-UHFFFAOYSA-N 0 0 298.427 2.392 10 30 CEEERN Cc1cn2cc(C(=O)NC[C@@H]3CC[C@H](O)C3)sc2n1 ZINC000330004564 228014033 /nfs/dbraw/zinc/01/40/33/228014033.db2.gz CSCITWCXVSSHLQ-ZJUUUORDSA-N 0 0 279.365 2.170 10 30 CEEERN C[C@]1(C(=O)NCC2(CO)CCCC2)CCCNC1=O ZINC000330317225 228139618 /nfs/dbraw/zinc/13/96/18/228139618.db2.gz QHYDALOFHGWHQV-ZDUSSCGKSA-N 0 0 268.357 2.252 10 30 CEEERN CSCCC(=O)Nc1ccc(OCC#N)cc1 ZINC000070192505 260265605 /nfs/dbraw/zinc/26/56/05/260265605.db2.gz GKKNJPVPBPOBKO-UHFFFAOYSA-N 0 0 250.323 2.281 10 30 CEEERN CCCCCCCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111087148 260653321 /nfs/dbraw/zinc/65/33/21/260653321.db2.gz ZLALQRGGWJHJIS-HNNXBMFYSA-N 0 0 293.411 2.471 10 30 CEEERN C=C[C@](C)(CCOC)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000249280094 261248480 /nfs/dbraw/zinc/24/84/80/261248480.db2.gz NHSNXARCZZDPOW-IIAWOOMASA-N 0 0 281.396 2.385 10 30 CEEERN C[C@@H](NS(=O)(=O)CCCCC#N)c1cccs1 ZINC000171954641 261487809 /nfs/dbraw/zinc/48/78/09/261487809.db2.gz SDNINJVNIDTJSS-SNVBAGLBSA-N 0 0 272.395 2.422 10 30 CEEERN CC1(C#N)CCN(C(=O)N[C@H]2COc3ccccc32)CC1 ZINC000272607362 263007624 /nfs/dbraw/zinc/00/76/24/263007624.db2.gz TZIWGGXZSKUOOJ-ZDUSSCGKSA-N 0 0 285.347 2.455 10 30 CEEERN N#Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)nc1 ZINC000107444007 269959603 /nfs/dbraw/zinc/95/96/03/269959603.db2.gz HRAHWQSCJFMDCZ-UHFFFAOYSA-N 0 0 299.237 2.076 10 30 CEEERN C=CCN1CCN(c2ncc(F)cn2)Cc2ccc(C)nc21 ZINC000096069233 275427918 /nfs/dbraw/zinc/42/79/18/275427918.db2.gz GDNISMGNFFIGJD-UHFFFAOYSA-N 0 0 299.353 2.332 10 30 CEEERN CC(C)(C#N)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000070144733 277121189 /nfs/dbraw/zinc/12/11/89/277121189.db2.gz WRTOKAZWPMKTLZ-UHFFFAOYSA-N 0 0 274.324 2.019 10 30 CEEERN COc1cc(I)c(C#N)cc1OC ZINC000095830943 277380731 /nfs/dbraw/zinc/38/07/31/277380731.db2.gz PHWONZJFBDBALF-UHFFFAOYSA-N 0 0 289.072 2.180 10 30 CEEERN CCOC(=O)[C@]1(C)CCN(c2cccc(F)c2C#N)C1 ZINC000154889161 279628432 /nfs/dbraw/zinc/62/84/32/279628432.db2.gz BQDJQQPFSZICFK-OAHLLOKOSA-N 0 0 276.311 2.477 10 30 CEEERN CCN(C(=O)[C@H]1CC[C@H](C)O1)c1ccc(C#N)cc1 ZINC000152124043 289078207 /nfs/dbraw/zinc/07/82/07/289078207.db2.gz DOQDPJQSTPGNNV-SMDDNHRTSA-N 0 0 258.321 2.479 10 30 CEEERN C[C@@]1(C(=O)Nc2nc3cccnc3[nH]2)CCCNC1=O ZINC000330320662 289157182 /nfs/dbraw/zinc/15/71/82/289157182.db2.gz RVCRUMCNLZGMQG-CYBMUJFWSA-N 0 0 273.296 2.303 10 30 CEEERN C[C@H](C#N)N1CCC2(CC1)OCCc1ccccc12 ZINC000334785827 289239582 /nfs/dbraw/zinc/23/95/82/289239582.db2.gz CUVHGEQSIHVEKV-CYBMUJFWSA-N 0 0 256.349 2.462 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000061889522 303159600 /nfs/dbraw/zinc/15/96/00/303159600.db2.gz GWUPVSJLAFEDTP-CABZTGNLSA-N 0 0 284.768 2.311 10 30 CEEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)CC ZINC000170730404 327656977 /nfs/dbraw/zinc/65/69/77/327656977.db2.gz WTALCAUFUBVXIC-MNOVXSKESA-N 0 0 283.372 2.098 10 30 CEEERN Cc1cnn([C@@H]2CCCN(C(=O)NCCCCC#N)C2)c1 ZINC000171907268 327760117 /nfs/dbraw/zinc/76/01/17/327760117.db2.gz MHVGAKBPJVJVGW-CQSZACIVSA-N 0 0 289.383 2.232 10 30 CEEERN C#CCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000172947189 329141031 /nfs/dbraw/zinc/14/10/31/329141031.db2.gz FXIAVDBAPMSKBE-DOTOQJQBSA-N 0 0 298.386 2.126 10 30 CEEERN C=CCCS(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000177527131 329185362 /nfs/dbraw/zinc/18/53/62/329185362.db2.gz KTPIIIBTRMLSDD-GFCCVEGCSA-N 0 0 267.350 2.006 10 30 CEEERN C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H]1C(=O)N(C)CC(=C)C ZINC000183602833 329251346 /nfs/dbraw/zinc/25/13/46/329251346.db2.gz OZVQUDTUCBHKAA-GASCZTMLSA-N 0 0 292.423 2.472 10 30 CEEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000184427889 329257983 /nfs/dbraw/zinc/25/79/83/329257983.db2.gz GMQZLMAIDILIFO-NSHDSACASA-N 0 0 255.339 2.322 10 30 CEEERN C=CCc1cc(C[NH2+][C@H](CCC)C(=O)[O-])cc(OC)c1O ZINC000262690137 330027361 /nfs/dbraw/zinc/02/73/61/330027361.db2.gz FWIILJAEGOZFIS-CYBMUJFWSA-N 0 0 293.363 2.472 10 30 CEEERN CC[C@@H](CC#N)NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000183960795 333123985 /nfs/dbraw/zinc/12/39/85/333123985.db2.gz WRYMVPRYEXZRTA-RYUDHWBXSA-N 0 0 295.383 2.052 10 30 CEEERN C#CCCCC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000192101442 333229629 /nfs/dbraw/zinc/22/96/29/333229629.db2.gz WYLMNOMTRVBNNB-GFCCVEGCSA-N 0 0 282.384 2.209 10 30 CEEERN C#CC(C)(C)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000192847214 333239727 /nfs/dbraw/zinc/23/97/27/333239727.db2.gz BNTDEERKUDENDJ-VAWYXSNFSA-N 0 0 263.362 2.331 10 30 CEEERN C=C(Br)C[N@H+]1CC[C@](CCC)(C(=O)[O-])C1 ZINC000062937721 518582421 /nfs/dbraw/zinc/58/24/21/518582421.db2.gz XFPJRNGEFJHRGQ-NSHDSACASA-N 0 0 276.174 2.472 10 30 CEEERN CCCCC#C[C@](C)(O)C[NH2+][C@H](C(=O)[O-])[C@@H](C)CC ZINC000059409540 519904340 /nfs/dbraw/zinc/90/43/40/519904340.db2.gz FLPYYPICEVCBST-YDHLFZDLSA-N 0 0 269.385 2.020 10 30 CEEERN CCCN[C@@](C)(C#N)CN(C)c1ccccc1OC ZINC000049967061 520032524 /nfs/dbraw/zinc/03/25/24/520032524.db2.gz LJIPEPUGBOUYIW-HNNXBMFYSA-N 0 0 261.369 2.413 10 30 CEEERN C[C@](O)(CNC(=O)C[C@H]1CCCCNC1=O)C1CC1 ZINC000329262592 534155180 /nfs/dbraw/zinc/15/51/80/534155180.db2.gz DGVVOVIBPQOXDF-YGRLFVJLSA-N 0 0 268.357 2.251 10 30 CEEERN C#CCN[C@@](CC(C)C)(C(=O)OC)c1ccccc1 ZINC000051964624 518291635 /nfs/dbraw/zinc/29/16/35/518291635.db2.gz QOSXQDVIFSYFMU-MRXNPFEDSA-N 0 0 259.349 2.324 10 30 CEEERN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000185584685 518630774 /nfs/dbraw/zinc/63/07/74/518630774.db2.gz SJXBFSUZEJNDJZ-CHWSQXEVSA-N 0 0 290.411 2.435 10 30 CEEERN CC(C)(C)[N@H+](CCC(=O)[O-])Cc1cccnc1C#N ZINC000061659511 518701641 /nfs/dbraw/zinc/70/16/41/518701641.db2.gz PNVSJJVMELAWBY-UHFFFAOYSA-N 0 0 261.325 2.028 10 30 CEEERN C=CCNC(=O)c1cnoc1-c1ccc(OC)cc1 ZINC000062617916 518945875 /nfs/dbraw/zinc/94/58/75/518945875.db2.gz IWVRHCDEEKTSIK-UHFFFAOYSA-N 0 0 258.277 2.266 10 30 CEEERN C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000182800264 519114552 /nfs/dbraw/zinc/11/45/52/519114552.db2.gz AXRHFGJPURQDMB-GXSJLCMTSA-N 0 0 284.306 2.262 10 30 CEEERN CC(C)C(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691554 519516563 /nfs/dbraw/zinc/51/65/63/519516563.db2.gz AAYHYWDBPVNEEL-UHFFFAOYSA-N 0 0 251.713 2.278 10 30 CEEERN CC(C)CC[C@@H](C)NC(=O)c1cncc(C#CCCO)c1 ZINC000069235766 519682553 /nfs/dbraw/zinc/68/25/53/519682553.db2.gz NTFABUVWJPNCCP-CQSZACIVSA-N 0 0 288.391 2.370 10 30 CEEERN CC(C)N[C@@H](C#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000062449263 519733729 /nfs/dbraw/zinc/73/37/29/519733729.db2.gz RPHFITGHEPAPTJ-LLVKDONJSA-N 0 0 263.297 2.254 10 30 CEEERN CC(C)N[C@@H](C#N)CCOc1ccc([N+](=O)[O-])cc1F ZINC000062449212 519733781 /nfs/dbraw/zinc/73/37/81/519733781.db2.gz OXWAKOFVIAZIIW-SNVBAGLBSA-N 0 0 281.287 2.393 10 30 CEEERN CC(C)N[C@](C#N)(CSc1cnccn1)C1CC1 ZINC000069094741 519739454 /nfs/dbraw/zinc/73/94/54/519739454.db2.gz CSYUOIDDAZHKMI-CYBMUJFWSA-N 0 0 262.382 2.239 10 30 CEEERN CC(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(C#CCO)cc1 ZINC000070125894 519790032 /nfs/dbraw/zinc/79/00/32/519790032.db2.gz DJPLZZSRBMFSFO-ZIAGYGMSSA-N 0 0 273.376 2.500 10 30 CEEERN CCOCCN(CC)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069083804 519909198 /nfs/dbraw/zinc/90/91/98/519909198.db2.gz BXOUAHFVYNLYNV-HNNXBMFYSA-N 0 0 267.417 2.015 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CN[C@](C#N)(COc1ccc2c(c1)CCC2)C1CC1 ZINC000069086413 522511379 /nfs/dbraw/zinc/51/13/79/522511379.db2.gz UPVZGYBOPIZNSE-MRXNPFEDSA-N 0 0 256.349 2.446 10 30 CEEERN CN[C@](C)(C#N)C[C@@H](C)Oc1ccc2c(c1)CCC(=O)N2 ZINC000068619752 522511908 /nfs/dbraw/zinc/51/19/08/522511908.db2.gz JBAFNRQYGPZAAR-BZNIZROVSA-N 0 0 287.363 2.230 10 30 CEEERN CN[C@](C)(C#N)C[C@H](C)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000068622638 522512029 /nfs/dbraw/zinc/51/20/29/522512029.db2.gz IAKRJWGFHAGEAI-HZMBPMFUSA-N 0 0 293.323 2.262 10 30 CEEERN CN[C@](C)(C#N)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442006 522512367 /nfs/dbraw/zinc/51/23/67/522512367.db2.gz PIBXGSPFJPMGJP-CYBMUJFWSA-N 0 0 263.297 2.092 10 30 CEEERN CCc1nccn1[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000181303827 522598495 /nfs/dbraw/zinc/59/84/95/522598495.db2.gz NFHSBMRRHASTKL-AWEZNQCLSA-N 0 0 297.362 2.123 10 30 CEEERN CNc1ccc([N+](=O)[O-])cc1C(=O)N(CCC#N)C(C)C ZINC000050789031 522642764 /nfs/dbraw/zinc/64/27/64/522642764.db2.gz PDBPLTJJWQWKCR-UHFFFAOYSA-N 0 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COc1ccc(C#CCO)cc1COCC(F)(F)F ZINC000049619921 523520662 /nfs/dbraw/zinc/52/06/62/523520662.db2.gz VIPBFUKNWXHGDT-UHFFFAOYSA-N 0 0 274.238 2.118 10 30 CEEERN COC(=O)[C@@H](CC(C)C)N[C@H]1CCCC[C@@H]1C#N ZINC000054827556 523568682 /nfs/dbraw/zinc/56/86/82/523568682.db2.gz YVGJDSNSGQBXFG-FRRDWIJNSA-N 0 0 252.358 2.246 10 30 CEEERN Cc1nc[nH]c1CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC000330115614 534719009 /nfs/dbraw/zinc/71/90/09/534719009.db2.gz UGKGJNLIPIXNRB-JTQLQIEISA-N 0 0 276.296 2.062 10 30 CEEERN COCCN(CCOC)[C@H](CC#N)c1ccccc1 ZINC000055020318 523723432 /nfs/dbraw/zinc/72/34/32/523723432.db2.gz QPXMBWOMROTVGU-OAHLLOKOSA-N 0 0 262.353 2.236 10 30 CEEERN COC(=O)[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000068769942 523885296 /nfs/dbraw/zinc/88/52/96/523885296.db2.gz STKANJBNWDUASO-VIFPVBQESA-N 0 0 255.277 2.080 10 30 CEEERN COC(=O)[C@H](CC(C)C)N[C@@H]1CCCC[C@@H]1C#N ZINC000054827547 523895310 /nfs/dbraw/zinc/89/53/10/523895310.db2.gz YVGJDSNSGQBXFG-UPJWGTAASA-N 0 0 252.358 2.246 10 30 CEEERN CC[C@H](C)N(CCOC)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069080337 523939461 /nfs/dbraw/zinc/93/94/61/523939461.db2.gz JJHWKMPEMIMMNC-HOCLYGCPSA-N 0 0 281.444 2.404 10 30 CEEERN COCCN[C@H](C#N)c1cc(Br)cs1 ZINC000053256131 523962115 /nfs/dbraw/zinc/96/21/15/523962115.db2.gz XWAUQSMMKDERFO-MRVPVSSYSA-N 0 0 275.171 2.311 10 30 CEEERN C[C@H](CC1CC1)NC(=O)c1sccc1C#CCO ZINC000070108661 524095835 /nfs/dbraw/zinc/09/58/35/524095835.db2.gz CDMMPVMJEVMABJ-SNVBAGLBSA-N 0 0 263.362 2.010 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2cncc(C#CCCO)c2)[C@@H]1C ZINC000050568492 524213610 /nfs/dbraw/zinc/21/36/10/524213610.db2.gz BGCSQHFAKTZVPR-ZIAGYGMSSA-N 0 0 286.375 2.076 10 30 CEEERN Cc1cc(C)n(Cc2ccccc2C#CCCO)n1 ZINC000049619093 524542537 /nfs/dbraw/zinc/54/25/37/524542537.db2.gz DYCKMYMRTZRLBP-UHFFFAOYSA-N 0 0 254.333 2.282 10 30 CEEERN C[C@H]1CN(Cc2cccc(C#CCCO)c2)C[C@H](C)O1 ZINC000049615962 524622834 /nfs/dbraw/zinc/62/28/34/524622834.db2.gz PLVUKXRYQFWYOZ-GJZGRUSLSA-N 0 0 273.376 2.030 10 30 CEEERN C[C@H](Cc1ccco1)NC(=O)c1ccc(C#CCO)s1 ZINC000049148507 524744956 /nfs/dbraw/zinc/74/49/56/524744956.db2.gz IUXOZPNDADYXAD-LLVKDONJSA-N 0 0 289.356 2.046 10 30 CEEERN Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061889761 524872135 /nfs/dbraw/zinc/87/21/35/524872135.db2.gz OCURAKXPZHIRKK-CMPLNLGQSA-N 0 0 282.340 2.105 10 30 CEEERN C[C@@H]1CN(Cc2ccc(C#CCCO)cc2)C[C@H](C)O1 ZINC000049615872 524990827 /nfs/dbraw/zinc/99/08/27/524990827.db2.gz QLGQVBNXOILGAU-GASCZTMLSA-N 0 0 273.376 2.030 10 30 CEEERN C[C@@H](NC(=O)C(C)(C)C)c1ccc(C#CCO)cc1 ZINC000049588449 525053447 /nfs/dbraw/zinc/05/34/47/525053447.db2.gz YAQUZHSAOVWRBQ-GFCCVEGCSA-N 0 0 259.349 2.254 10 30 CEEERN C[C@](N)(C#N)CCCCSc1nnc2ccccn21 ZINC000061407892 525143500 /nfs/dbraw/zinc/14/35/00/525143500.db2.gz XHXKIXSWNNSISH-CYBMUJFWSA-N 0 0 275.381 2.233 10 30 CEEERN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(C#CCCO)cc1 ZINC000049589400 525300113 /nfs/dbraw/zinc/30/01/13/525300113.db2.gz WJDWYASGYFPUHI-CJNGLKHVSA-N 0 0 271.360 2.035 10 30 CEEERN CSCCC(=O)N(C)Cc1ccc(C#CCCO)cc1 ZINC000049589376 525367395 /nfs/dbraw/zinc/36/73/95/525367395.db2.gz AZFWGHRBZMCZIW-UHFFFAOYSA-N 0 0 291.416 2.132 10 30 CEEERN Cc1ccoc1C(=O)N(C)Cc1cccc(C#CCO)c1 ZINC000049588744 525776265 /nfs/dbraw/zinc/77/62/65/525776265.db2.gz AAYWQEOYDNOGJW-UHFFFAOYSA-N 0 0 283.327 2.204 10 30 CEEERN Cc1ccc(C#N)c(Sc2nnnn2C2CC2)c1 ZINC000051598565 525995992 /nfs/dbraw/zinc/99/59/92/525995992.db2.gz MGFKROBGEPZXRU-UHFFFAOYSA-N 0 0 257.322 2.339 10 30 CEEERN Cc1cc(C(=O)CN(CCC#N)C2CC2)c(C)n1C ZINC000050146608 526203113 /nfs/dbraw/zinc/20/31/13/526203113.db2.gz AOGQQUAELJNMTN-UHFFFAOYSA-N 0 0 259.353 2.203 10 30 CEEERN N#CCCN(c1nc(Cl)nc(N2CCCC2)n1)C1CC1 ZINC000061540048 526459252 /nfs/dbraw/zinc/45/92/52/526459252.db2.gz UQZSADQXFLIRLG-UHFFFAOYSA-N 0 0 292.774 2.008 10 30 CEEERN N#C[C@@H](NCCCO)c1ccc(C(F)(F)F)cc1 ZINC000053708658 526496681 /nfs/dbraw/zinc/49/66/81/526496681.db2.gz UUHHQHCDONLXAZ-LLVKDONJSA-N 0 0 258.243 2.242 10 30 CEEERN 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COc1ccc(/C=N\NC(N)=S)c2ccccc12 ZINC000033285419 361776704 /nfs/dbraw/zinc/77/67/04/361776704.db2.gz QAYVZBRXUBLTQQ-NVNXTCNLSA-N 0 0 259.334 2.016 10 30 CEEERN CCN[C@](C)(C#N)C[C@H](C)Sc1nncs1 ZINC000082797132 178301970 /nfs/dbraw/zinc/30/19/70/178301970.db2.gz ICRUBDYFEUMAID-WPRPVWTQSA-N 0 0 256.400 2.301 10 30 CEEERN C#C[C@H](O)c1cc(Br)c2c(c1)OCCCO2 ZINC000083053131 178336255 /nfs/dbraw/zinc/33/62/55/178336255.db2.gz HJWJANQUFICZSO-JTQLQIEISA-N 0 0 283.121 2.277 10 30 CEEERN N#Cc1ccc(NC(=O)c2cccc(O)c2)c(N)c1 ZINC000096601387 185107766 /nfs/dbraw/zinc/10/77/66/185107766.db2.gz OFHMNVNNHLQKAI-UHFFFAOYSA-N 0 0 253.261 2.098 10 30 CEEERN N#Cc1cc(Br)c2c(c1)OCCCO2 ZINC000036903334 361868694 /nfs/dbraw/zinc/86/86/94/361868694.db2.gz DMNJGMPXTHYVGA-UHFFFAOYSA-N 0 0 254.083 2.482 10 30 CEEERN N#Cc1ccc(CNC(=O)c2ccc3c(c2)CCN3)cc1 ZINC000037748585 361926970 /nfs/dbraw/zinc/92/69/70/361926970.db2.gz DBYXIEBCMAOOLV-UHFFFAOYSA-N 0 0 277.327 2.456 10 30 CEEERN CC(C)(O)C#Cc1c[nH]c2cncc(Br)c12 ZINC000725245603 539191640 /nfs/dbraw/zinc/19/16/40/539191640.db2.gz KMLFQTHQIAYJJQ-UHFFFAOYSA-N 0 0 279.137 2.448 10 30 CEEERN CCCCOc1ccc(CC(=O)NOC(=O)CC)cc1 ZINC000005821581 343355380 /nfs/dbraw/zinc/35/53/80/343355380.db2.gz MTIYXWKQBBXCCC-UHFFFAOYSA-N 0 0 279.336 2.392 10 30 CEEERN O=C(NCc1ccccc1)c1cc(C#CCO)ccc1F ZINC000037568760 343428513 /nfs/dbraw/zinc/42/85/13/343428513.db2.gz XAUAUJZLPCQKKA-UHFFFAOYSA-N 0 0 283.302 2.100 10 30 CEEERN CCC(C#N)(CC)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000044767337 343477508 /nfs/dbraw/zinc/47/75/08/343477508.db2.gz FRQNWAJAERXVNW-CHWSQXEVSA-N 0 0 264.369 2.486 10 30 CEEERN COP(=O)(CC(=O)C#Cc1ccccc1)OC ZINC000059848530 343654596 /nfs/dbraw/zinc/65/45/96/343654596.db2.gz HQNZZNBOVHKOPR-UHFFFAOYSA-N 0 0 252.206 2.093 10 30 CEEERN CN1C[C@@H](CNC(=O)c2cncnc2)Cc2ccccc21 ZINC000329982828 529817094 /nfs/dbraw/zinc/81/70/94/529817094.db2.gz ARTDDRJGOKKJCG-GFCCVEGCSA-N 0 0 282.347 2.090 10 30 CEEERN Cc1cc2c(nccc2C#N)n1S(=O)(=O)c1ccccc1 ZINC000095919967 344238001 /nfs/dbraw/zinc/23/80/01/344238001.db2.gz ODRJCVOGODPHQY-UHFFFAOYSA-N 0 0 297.339 2.453 10 30 CEEERN CCOC(=O)C#Cc1ccc(Br)cc1 ZINC000112931557 344275601 /nfs/dbraw/zinc/27/56/01/344275601.db2.gz OOYVAAPHSQLXJX-UHFFFAOYSA-N 0 0 253.095 2.364 10 30 CEEERN C#CC[C@@H](NN)c1ccc(C)c(Br)c1 ZINC000126640192 344325552 /nfs/dbraw/zinc/32/55/52/344325552.db2.gz LJCXDURVRKMAEE-LLVKDONJSA-N 0 0 253.143 2.285 10 30 CEEERN C#CCC(=O)c1cccc(I)c1 ZINC000167705999 344479043 /nfs/dbraw/zinc/47/90/43/344479043.db2.gz MUSQPUHBVZWZLC-UHFFFAOYSA-N 0 0 270.069 2.497 10 30 CEEERN C#CCCCn1c(C)c(Br)c(C)nc1=O ZINC000227910322 344557497 /nfs/dbraw/zinc/55/74/97/344557497.db2.gz WHQVUAZVGNXCCM-UHFFFAOYSA-N 0 0 269.142 2.036 10 30 CEEERN C#CCN[C@H](C#N)c1sccc1Br ZINC000228007596 344558196 /nfs/dbraw/zinc/55/81/96/344558196.db2.gz YGQBIQBEVVQNPM-MRVPVSSYSA-N 0 0 255.140 2.298 10 30 CEEERN CCC[C@@H]1C[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000233306319 344580921 /nfs/dbraw/zinc/58/09/21/344580921.db2.gz TZGJBBXLYPKZLJ-UKRRQHHQSA-N 0 0 292.404 2.110 10 30 CEEERN CCOC(=O)Cc1cccc(Br)c1C#N ZINC000238260365 344605906 /nfs/dbraw/zinc/60/59/06/344605906.db2.gz IJIDRKYLIWIYSQ-UHFFFAOYSA-N 0 0 268.110 2.426 10 30 CEEERN CC1=C(C(=O)NC[C@H]2CCn3ccnc3C2)CCCO1 ZINC000328644378 344757946 /nfs/dbraw/zinc/75/79/46/344757946.db2.gz ZFSZBJGCPRQZDF-LBPRGKRZSA-N 0 0 275.352 2.486 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCn2ccnc2C1 ZINC000328631083 344756608 /nfs/dbraw/zinc/75/66/08/344756608.db2.gz QOGNEYVSBVZEBP-AWEZNQCLSA-N 0 0 294.358 2.056 10 30 CEEERN Cn1cc(Br)c(CN[C@@H]2CCCC[C@@H]2C#N)n1 ZINC000393366718 344839664 /nfs/dbraw/zinc/83/96/64/344839664.db2.gz FYDONGBHBZRMQE-MWLCHTKSSA-N 0 0 297.200 2.355 10 30 CEEERN COC(=O)c1cccc(C#C[C@@](C)(O)C2(C#N)CCC2)c1 ZINC000584597351 344961714 /nfs/dbraw/zinc/96/17/14/344961714.db2.gz HDEMWNWYQWUZIF-MRXNPFEDSA-N 0 0 283.327 2.270 10 30 CEEERN CC(C)/N=C1/NC(=O)[C@@H](c2ccccc2O)S1 ZINC000584637025 344971119 /nfs/dbraw/zinc/97/11/19/344971119.db2.gz JRGUGAUSTLGIOT-SNVBAGLBSA-N 0 0 250.323 2.061 10 30 CEEERN C[NH+]1CCC([C@](C#N)(Cc2ccccc2)C(=O)[O-])CC1 ZINC000584636415 344971346 /nfs/dbraw/zinc/97/13/46/344971346.db2.gz CNMMYIHTOFYWBL-MRXNPFEDSA-N 0 0 272.348 2.165 10 30 CEEERN N#Cc1ccc(N[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000589561998 345086569 /nfs/dbraw/zinc/08/65/69/345086569.db2.gz RTXPSWDVSAYJQG-JQWIXIFHSA-N 0 0 261.281 2.182 10 30 CEEERN CC[C@@H](CC#N)[S@@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000084264603 178834686 /nfs/dbraw/zinc/83/46/86/178834686.db2.gz LOZXTSYVJUNFFL-BTDLBPIBSA-N 0 0 252.295 2.395 10 30 CEEERN CCCC[S@](=O)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000084265596 178834745 /nfs/dbraw/zinc/83/47/45/178834745.db2.gz UBBHUUQGDZOYKM-JEOXALJRSA-N 0 0 278.377 2.434 10 30 CEEERN N#Cc1ccc(C[S@@](=O)C2CCOCC2)c(F)c1 ZINC000084267101 178835376 /nfs/dbraw/zinc/83/53/76/178835376.db2.gz YLJATTBEXTZLFC-SFHVURJKSA-N 0 0 267.325 2.125 10 30 CEEERN C#CC(C)(C)NCc1c(Br)c(C)nn1CC ZINC000084278518 178841122 /nfs/dbraw/zinc/84/11/22/178841122.db2.gz YENAZYLISDRHRZ-UHFFFAOYSA-N 0 0 284.201 2.475 10 30 CEEERN CN[C@](C)(C#N)C[C@@H](C)Oc1cccc(COC)c1 ZINC000084307190 178853180 /nfs/dbraw/zinc/85/31/80/178853180.db2.gz GNMXGRJBNOWSGF-DOMZBBRYSA-N 0 0 262.353 2.492 10 30 CEEERN COc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1OC ZINC000061891252 362696794 /nfs/dbraw/zinc/69/67/94/362696794.db2.gz RXVZHGKGTMBJIQ-DGCLKSJQSA-N 0 0 260.337 2.486 10 30 CEEERN COc1cc(CN[C@H]2CCC[C@@H]2C#N)cc2c1OCCO2 ZINC000061892543 362696845 /nfs/dbraw/zinc/69/68/45/362696845.db2.gz ZBDMHBWAGRNJMU-OLZOCXBDSA-N 0 0 288.347 2.248 10 30 CEEERN FC(F)(Br)C(F)(F)CCOC[C@@H]1CO1 ZINC000098210595 185700061 /nfs/dbraw/zinc/70/00/61/185700061.db2.gz DWJKMUYUBSLOCJ-RXMQYKEDSA-N 0 0 281.043 2.415 10 30 CEEERN COc1ccc(C[C@@H](C#N)CO)cc1Br ZINC000063064226 362748182 /nfs/dbraw/zinc/74/81/82/362748182.db2.gz YYPUGKFPCIDECZ-VIFPVBQESA-N 0 0 270.126 2.132 10 30 CEEERN C=CCN1C(=O)[C@](C)(C2CC2)NC(=O)[C@@H]1c1ccccc1 ZINC000085762006 179153557 /nfs/dbraw/zinc/15/35/57/179153557.db2.gz SHGOXYSDGXAEFS-YOEHRIQHSA-N 0 0 284.359 2.041 10 30 CEEERN C=CCN1C(=O)C(CC)(CC)NC(=O)[C@H]1[C@@H](C)CC ZINC000085764494 179154705 /nfs/dbraw/zinc/15/47/05/179154705.db2.gz KBEMKHCQHINASC-NWDGAFQWSA-N 0 0 266.385 2.104 10 30 CEEERN C=CCN1C(=O)[C@@](C)(c2ccccc2)NC(=O)[C@@H]1C(C)C ZINC000085776669 179160385 /nfs/dbraw/zinc/16/03/85/179160385.db2.gz PNWNFJJBZAUIOQ-WMLDXEAASA-N 0 0 286.375 2.071 10 30 CEEERN C=CCN1C(=O)[C@@H](C2CCCCC2)NC(=O)[C@@H]1CC(C)C ZINC000085776073 179159273 /nfs/dbraw/zinc/15/92/73/179159273.db2.gz HVLNVZXYSWHMQK-LSDHHAIUSA-N 0 0 292.423 2.494 10 30 CEEERN CCCCC[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1N ZINC000085916475 179198486 /nfs/dbraw/zinc/19/84/86/179198486.db2.gz FYURUEBPURGMNL-LLVKDONJSA-N 0 0 295.408 2.388 10 30 CEEERN COc1ccc(-n2nc(C)c(C#N)c2N)cc1Cl ZINC000604941604 347435869 /nfs/dbraw/zinc/43/58/69/347435869.db2.gz VDZUKEQXAJLEPW-UHFFFAOYSA-N 0 0 262.700 2.297 10 30 CEEERN CCOC(=O)C1(C=O)CC(OCc2ccc(F)cc2)C1 ZINC000606302593 347464750 /nfs/dbraw/zinc/46/47/50/347464750.db2.gz RGUPEXIACNQLEG-UHFFFAOYSA-N 0 0 280.295 2.253 10 30 CEEERN COC[C@H](NC(=O)[C@@H](C#N)Cc1ccccc1)C(C)C ZINC000086700784 179321273 /nfs/dbraw/zinc/32/12/73/179321273.db2.gz OTJRJVQGHYWUJJ-CABCVRRESA-N 0 0 274.364 2.156 10 30 CEEERN Cc1nc(SC[C@](N)(C#N)C2CC2)nc(C)c1C ZINC000086644563 179316055 /nfs/dbraw/zinc/31/60/55/179316055.db2.gz VINXCLLFKLQGIF-CYBMUJFWSA-N 0 0 262.382 2.125 10 30 CEEERN CCS(=O)(=O)CCCNc1cc(C#N)ccc1C ZINC000086974271 179371382 /nfs/dbraw/zinc/37/13/82/179371382.db2.gz PGCYCKGNQJOJNM-UHFFFAOYSA-N 0 0 266.366 2.103 10 30 CEEERN CC(C)c1nnsc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000087442074 179426406 /nfs/dbraw/zinc/42/64/06/179426406.db2.gz ZGHQPHDABXBXBA-IUCAKERBSA-N 0 0 264.354 2.084 10 30 CEEERN OCC#Cc1ccc(OC[C@H]2CCCCO2)cc1F ZINC000087438141 179426446 /nfs/dbraw/zinc/42/64/46/179426446.db2.gz GSJVCJRHDWDVGJ-CQSZACIVSA-N 0 0 264.296 2.117 10 30 CEEERN CS(=O)(=O)N1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000616626863 348539248 /nfs/dbraw/zinc/53/92/48/348539248.db2.gz AEWRJQIKLBTENP-GFCCVEGCSA-N 0 0 278.377 2.087 10 30 CEEERN CC(C)(C)OC(=O)N1CCN[C@H](c2ccccc2C#N)C1 ZINC000616631873 348541060 /nfs/dbraw/zinc/54/10/60/348541060.db2.gz HQGINDAFHPYPOR-AWEZNQCLSA-N 0 0 287.363 2.440 10 30 CEEERN O=C(Nc1ccc(C#CCO)c(F)c1)C1CCCC1 ZINC000088082387 179546118 /nfs/dbraw/zinc/54/61/18/179546118.db2.gz XZECVOTZEVLKHO-UHFFFAOYSA-N 0 0 261.296 2.298 10 30 CEEERN Cc1cc(C#N)cc(C)c1O[C@H](C)C(=O)NC1CC1 ZINC000088154436 179558311 /nfs/dbraw/zinc/55/83/11/179558311.db2.gz RSUOXXNVGMOUIP-LLVKDONJSA-N 0 0 258.321 2.221 10 30 CEEERN C[C@H]1CC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000088191958 179562207 /nfs/dbraw/zinc/56/22/07/179562207.db2.gz ATIZQJKKHJVIHZ-ZETCQYMHSA-N 0 0 282.221 2.476 10 30 CEEERN N#CCC1(C[S@@](=O)c2nc3ccc(N)cc3o2)CC1 ZINC000088256846 179571384 /nfs/dbraw/zinc/57/13/84/179571384.db2.gz LYJQEYKRVGYRHX-IBGZPJMESA-N 0 0 275.333 2.211 10 30 CEEERN CCC(C)(C)NC(=O)c1cccc(C#CCO)c1C ZINC000088442718 179603173 /nfs/dbraw/zinc/60/31/73/179603173.db2.gz UWYHLPMTPRWKFV-UHFFFAOYSA-N 0 0 259.349 2.257 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000088476961 179611028 /nfs/dbraw/zinc/61/10/28/179611028.db2.gz MMYCXJPDCYYRBK-CABZTGNLSA-N 0 0 270.329 2.108 10 30 CEEERN OCCC#Cc1cccc(OCCOC(F)(F)F)c1 ZINC000089055975 179694716 /nfs/dbraw/zinc/69/47/16/179694716.db2.gz LDYQFAISZAXMQE-UHFFFAOYSA-N 0 0 274.238 2.336 10 30 CEEERN CC/C(=C\CN(CCC#N)Cc1cccnc1)C(=O)OC ZINC000089075696 179697354 /nfs/dbraw/zinc/69/73/54/179697354.db2.gz UQMPJQKAPRZNHK-VIZOYTHASA-N 0 0 287.363 2.307 10 30 CEEERN CC/C(=C\COc1ccc(C#N)cc1OC)C(=O)OC ZINC000089074657 179697431 /nfs/dbraw/zinc/69/74/31/179697431.db2.gz SVPRGEJXXDERDW-KPKJPENVSA-N 0 0 275.304 2.455 10 30 CEEERN CCc1nn(C)c(CN2CCC[C@@H]2C#N)c1Br ZINC000089319722 179768834 /nfs/dbraw/zinc/76/88/34/179768834.db2.gz OSVDKJCCHYEDGU-SECBINFHSA-N 0 0 297.200 2.233 10 30 CEEERN CS(=O)(=O)CCCOc1cccc(Cl)c1C#N ZINC000090713987 180028568 /nfs/dbraw/zinc/02/85/68/180028568.db2.gz ZJIXNCIDFJQIGH-UHFFFAOYSA-N 0 0 273.741 2.025 10 30 CEEERN C[C@H](OC[C@@](N)(C#N)c1ccccc1)C(F)(F)F ZINC000090673980 180021791 /nfs/dbraw/zinc/02/17/91/180021791.db2.gz SJTMQBSSRSMKBD-ONGXEEELSA-N 0 0 258.243 2.332 10 30 CEEERN O=C(NCC#CCOc1ccccc1F)c1ccoc1 ZINC000090727544 180032585 /nfs/dbraw/zinc/03/25/85/180032585.db2.gz RSZOKPDBQRGMPP-UHFFFAOYSA-N 0 0 273.263 2.231 10 30 CEEERN CCC(=O)NCC#CCOc1ccc2cccnc2c1 ZINC000090743302 180035662 /nfs/dbraw/zinc/03/56/62/180035662.db2.gz TXTSZWLQWLUUBJ-UHFFFAOYSA-N 0 0 268.316 2.143 10 30 CEEERN CC(C)NC(=O)NCC#CCOc1cccc2cccnc21 ZINC000090743145 180035762 /nfs/dbraw/zinc/03/57/62/180035762.db2.gz FFXCLPJFDIPDKP-UHFFFAOYSA-N 0 0 297.358 2.325 10 30 CEEERN CC#Cc1ncnc(Oc2ccc(N)c(Cl)c2)c1N ZINC000090755591 180036608 /nfs/dbraw/zinc/03/66/08/180036608.db2.gz GLFXWQSNUNFIQP-UHFFFAOYSA-N 0 0 274.711 2.458 10 30 CEEERN OCC#Cc1cccc(OC[C@@H]2Cc3ccccc3O2)c1 ZINC000090876369 180052008 /nfs/dbraw/zinc/05/20/08/180052008.db2.gz ZJPSECXCDQFLNF-KRWDZBQOSA-N 0 0 280.323 2.413 10 30 CEEERN CCCN[C@](C)(C#N)CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907045 180061355 /nfs/dbraw/zinc/06/13/55/180061355.db2.gz JKBNWUURGQEARG-XHSDSOJGSA-N 0 0 279.428 2.302 10 30 CEEERN O=C(Nc1cccc(C#CCO)c1)[C@H]1Cc2ccccc21 ZINC000090985703 180080667 /nfs/dbraw/zinc/08/06/67/180080667.db2.gz GDVLYOXQAHNXSU-KRWDZBQOSA-N 0 0 277.323 2.309 10 30 CEEERN N#C[C@@H](CC(=O)N1CCCC1)Nc1ccccc1F ZINC000091324983 180135126 /nfs/dbraw/zinc/13/51/26/180135126.db2.gz RRBPNRAGYREVJS-LLVKDONJSA-N 0 0 261.300 2.142 10 30 CEEERN CCCN[C@@](C)(C#N)CCCSC[C@@H](C)CO ZINC000091258199 180115428 /nfs/dbraw/zinc/11/54/28/180115428.db2.gz GVNXHRQGFQCRQI-QWHCGFSZSA-N 0 0 258.431 2.410 10 30 CEEERN CCN[C@](C#N)(CSC[C@@H](C)CO)c1ccccc1 ZINC000091258189 180115464 /nfs/dbraw/zinc/11/54/64/180115464.db2.gz QYQZOVQOJPXOLI-DZGCQCFKSA-N 0 0 278.421 2.377 10 30 CEEERN C[C@H](CCO)SCCC(=O)Nc1ccccc1C#N ZINC000091263291 180116579 /nfs/dbraw/zinc/11/65/79/180116579.db2.gz MGFJBYLYCWQTTD-LLVKDONJSA-N 0 0 278.377 2.391 10 30 CEEERN CN[C@](C#N)(CS[C@@H](C)CCO)c1ccccc1 ZINC000091266517 180117231 /nfs/dbraw/zinc/11/72/31/180117231.db2.gz RLSJNUYUXHPRTN-GXTWGEPZSA-N 0 0 264.394 2.129 10 30 CEEERN CCCCCN(C(=O)c1ccncc1C#CCO)C(C)C ZINC000091458771 180160720 /nfs/dbraw/zinc/16/07/20/180160720.db2.gz CSGRWAWDKSVQJU-UHFFFAOYSA-N 0 0 288.391 2.466 10 30 CEEERN CC(C)[C@@H]1CCCN1C(=O)c1ccncc1C#CCCO ZINC000091460576 180161245 /nfs/dbraw/zinc/16/12/45/180161245.db2.gz APMKXEGTXGLWFW-INIZCTEOSA-N 0 0 286.375 2.076 10 30 CEEERN CC(C)CC[C@@H](C)NC(=O)c1ccncc1C#CCCO ZINC000091459818 180161836 /nfs/dbraw/zinc/16/18/36/180161836.db2.gz ODYJVFSTLDBGTL-CQSZACIVSA-N 0 0 288.391 2.370 10 30 CEEERN CSC1(C#N)CCN([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000091474984 180165193 /nfs/dbraw/zinc/16/51/93/180165193.db2.gz IPRSRDQKJRHHGP-CYBMUJFWSA-N 0 0 297.468 2.258 10 30 CEEERN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C#N)(SC)CC1 ZINC000091474462 180165483 /nfs/dbraw/zinc/16/54/83/180165483.db2.gz FWGGTJOVIXKUJC-CHWSQXEVSA-N 0 0 297.468 2.401 10 30 CEEERN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(C#N)(SC)CC1 ZINC000091474466 180165764 /nfs/dbraw/zinc/16/57/64/180165764.db2.gz FWGGTJOVIXKUJC-QWHCGFSZSA-N 0 0 297.468 2.401 10 30 CEEERN CSC1(C#N)CCN(C(=O)c2ccco2)CC1 ZINC000091477884 180166169 /nfs/dbraw/zinc/16/61/69/180166169.db2.gz WLFZTCIBVDKAMB-UHFFFAOYSA-N 0 0 250.323 2.141 10 30 CEEERN CCCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H](C)C#N ZINC000091555949 180190014 /nfs/dbraw/zinc/19/00/14/180190014.db2.gz HJLNGEYPOIHKCC-SECBINFHSA-N 0 0 265.317 2.106 10 30 CEEERN N#C[C@@H]1CNCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000091750093 180245907 /nfs/dbraw/zinc/24/59/07/180245907.db2.gz SFZRFMVQFMEAMW-LLVKDONJSA-N 0 0 298.268 2.035 10 30 CEEERN Cc1ccc(C)n1NC[C@H](O)c1ccc(C#N)cc1 ZINC000091787534 180256650 /nfs/dbraw/zinc/25/66/50/180256650.db2.gz HOLIZXKETWWZJO-HNNXBMFYSA-N 0 0 255.321 2.254 10 30 CEEERN N#C[C@H]1CNCCN1Cc1cc2ccccc2nc1Cl ZINC000091748108 180245508 /nfs/dbraw/zinc/24/55/08/180245508.db2.gz JTUPEPHHVNILEX-ZDUSSCGKSA-N 0 0 286.766 2.186 10 30 CEEERN CC(C)Oc1ccc([C@H](O)[C@@]2(C#N)CCOC2)cc1 ZINC000091879410 180279468 /nfs/dbraw/zinc/27/94/68/180279468.db2.gz QOTCXXORWCXGJV-LSDHHAIUSA-N 0 0 261.321 2.437 10 30 CEEERN N#C[C@@]1([C@@H](O)c2ccnc3ccccc32)CCOC1 ZINC000091883330 180279629 /nfs/dbraw/zinc/27/96/29/180279629.db2.gz UGXSEBVZCDXBJA-GJZGRUSLSA-N 0 0 254.289 2.198 10 30 CEEERN N#CC1([C@H](O)c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000091883667 180279978 /nfs/dbraw/zinc/27/99/78/180279978.db2.gz XXWVTLFZCPPNOR-GFCCVEGCSA-N 0 0 271.238 2.458 10 30 CEEERN CC[C@](O)(COC)[C@@]1(C#N)CCc2ccccc2C1 ZINC000091886270 180280036 /nfs/dbraw/zinc/28/00/36/180280036.db2.gz CSTMLEXVHGYQLM-HOTGVXAUSA-N 0 0 259.349 2.473 10 30 CEEERN CCn1cncc1[C@H](O)C1(C#N)Cc2ccccc2C1 ZINC000091904353 180283338 /nfs/dbraw/zinc/28/33/38/180283338.db2.gz RUOIDOWEZFOPDT-HNNXBMFYSA-N 0 0 267.332 2.245 10 30 CEEERN O=C(Nc1ccccc1C#CCCO)N1CCCC1 ZINC000091968625 180294751 /nfs/dbraw/zinc/29/47/51/180294751.db2.gz VWQWSSAHKVEELY-UHFFFAOYSA-N 0 0 258.321 2.048 10 30 CEEERN C[C@@H]1CCCN(C(=O)Nc2ccccc2C#CCO)C1 ZINC000091992122 180300507 /nfs/dbraw/zinc/30/05/07/180300507.db2.gz QUHJSKXNRGEYJN-CYBMUJFWSA-N 0 0 272.348 2.294 10 30 CEEERN C#CC[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000105679471 186067840 /nfs/dbraw/zinc/06/78/40/186067840.db2.gz AMZOPNMTBRKTGU-VIFPVBQESA-N 0 0 285.174 2.393 10 30 CEEERN C[C@@H]1CN(C(=O)c2ccc(C#CCCO)s2)C[C@H]1C ZINC000092112148 180326913 /nfs/dbraw/zinc/32/69/13/180326913.db2.gz QSSWOIMNUHFHQN-VXGBXAGGSA-N 0 0 277.389 2.210 10 30 CEEERN C=C(Br)CN1CCC(c2nncn2CC)CC1 ZINC000105928338 186092548 /nfs/dbraw/zinc/09/25/48/186092548.db2.gz UFKBIVJQBMSSBP-UHFFFAOYSA-N 0 0 299.216 2.386 10 30 CEEERN CNC(=O)c1ccc(N)c(Oc2ccc(CC#N)cc2)c1 ZINC000109533746 186260297 /nfs/dbraw/zinc/26/02/97/186260297.db2.gz GSLAVWYGDHKPLM-UHFFFAOYSA-N 0 0 281.315 2.487 10 30 CEEERN CCC[C@@H](C#N)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000109446924 186252929 /nfs/dbraw/zinc/25/29/29/186252929.db2.gz GGIMAAREHLJHGD-HNNXBMFYSA-N 0 0 277.412 2.403 10 30 CEEERN CCc1ccc(CN2CCN([C@H](C)C#N)CC2)s1 ZINC000109452606 186253696 /nfs/dbraw/zinc/25/36/96/186253696.db2.gz XYXSNBOBMYVNTH-GFCCVEGCSA-N 0 0 263.410 2.340 10 30 CEEERN CCCCC(=O)N1CCN([C@H](C#N)CCC)CC1 ZINC000110460555 186296955 /nfs/dbraw/zinc/29/69/55/186296955.db2.gz NRSHZUIYGVYYIS-ZDUSSCGKSA-N 0 0 251.374 2.013 10 30 CEEERN CCOc1cc(N(C)C[C@H](C)C#N)c(N)cc1F ZINC000110633947 186307384 /nfs/dbraw/zinc/30/73/84/186307384.db2.gz XKORPZPEOLDUFX-SECBINFHSA-N 0 0 251.305 2.402 10 30 CEEERN CCCOc1cc(N(CC#N)CC#N)c(N)cc1F ZINC000110635824 186307730 /nfs/dbraw/zinc/30/77/30/186307730.db2.gz MADDULUHHOLSHU-UHFFFAOYSA-N 0 0 262.288 2.050 10 30 CEEERN COCCN[C@H](C#N)c1ccc(OC)c(OC)c1Cl ZINC000110830273 186327097 /nfs/dbraw/zinc/32/70/97/186327097.db2.gz QYPXXALKRYWHDW-SNVBAGLBSA-N 0 0 284.743 2.158 10 30 CEEERN CN(CC1CCCC1)C(=O)c1ccc(C#CCO)cc1F ZINC000110847540 186328685 /nfs/dbraw/zinc/32/86/85/186328685.db2.gz KBRHAKMETXBMNO-UHFFFAOYSA-N 0 0 289.350 2.432 10 30 CEEERN OCC#Cc1cccc(CSc2cnccn2)c1 ZINC000110914229 186332637 /nfs/dbraw/zinc/33/26/37/186332637.db2.gz NVMKIUQWLGHWIE-UHFFFAOYSA-N 0 0 256.330 2.113 10 30 CEEERN OCC#Cc1ccsc1CSc1cnccn1 ZINC000110914179 186332711 /nfs/dbraw/zinc/33/27/11/186332711.db2.gz QTMHCDPGWRGBFI-UHFFFAOYSA-N 0 0 262.359 2.174 10 30 CEEERN CC[C@H](C)NC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110950361 186335816 /nfs/dbraw/zinc/33/58/16/186335816.db2.gz UBYUTIQAVYTAND-NSHDSACASA-N 0 0 270.336 2.017 10 30 CEEERN CC(C)N[C@H](C#N)CCn1c2ccccc2nc1CC#N ZINC000110952299 186336263 /nfs/dbraw/zinc/33/62/63/186336263.db2.gz JTNMUBWDEYGBHL-ZDUSSCGKSA-N 0 0 281.363 2.383 10 30 CEEERN C[C@H]1CN(C(=O)C2(C#N)CCCCCC2)CCN1C ZINC000110748538 186321861 /nfs/dbraw/zinc/32/18/61/186321861.db2.gz YTZIAAXDZYHBNA-ZDUSSCGKSA-N 0 0 263.385 2.013 10 30 CEEERN C[C@H](NC(=O)c1ccc(C#N)cn1)c1cccc(N)c1 ZINC000111280558 186388286 /nfs/dbraw/zinc/38/82/86/186388286.db2.gz XBQJTAAMRXXQEC-JTQLQIEISA-N 0 0 266.304 2.026 10 30 CEEERN N#Cc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)nc1 ZINC000111280535 186388413 /nfs/dbraw/zinc/38/84/13/186388413.db2.gz UKWAVHWLIFHXGB-UHFFFAOYSA-N 0 0 272.695 2.441 10 30 CEEERN CC(C)C[C@H](C)NC(=O)c1sccc1C#CCO ZINC000111531936 186426499 /nfs/dbraw/zinc/42/64/99/186426499.db2.gz TYMVWMMRPIVWOI-NSHDSACASA-N 0 0 265.378 2.256 10 30 CEEERN CC[C@@H](C)N(CC)C(=O)c1sccc1C#CCO ZINC000111532627 186426761 /nfs/dbraw/zinc/42/67/61/186426761.db2.gz UZAZUCJYYHKWEB-LLVKDONJSA-N 0 0 265.378 2.353 10 30 CEEERN CC1(CNC(=O)c2cc(C#CCO)ccc2F)CCCC1 ZINC000111624032 186432863 /nfs/dbraw/zinc/43/28/63/186432863.db2.gz DCCMTUOKIQBKAG-UHFFFAOYSA-N 0 0 289.350 2.480 10 30 CEEERN C#CCN(CCC)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000112007980 186466838 /nfs/dbraw/zinc/46/68/38/186466838.db2.gz LLMKMBNXNJYHRA-UHFFFAOYSA-N 0 0 264.256 2.219 10 30 CEEERN C=C[C@@](C)(CC)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000135041711 187791610 /nfs/dbraw/zinc/79/16/10/187791610.db2.gz XGBAYEQOGBQNIK-HOCLYGCPSA-N 0 0 291.395 2.021 10 30 CEEERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000154342461 188137070 /nfs/dbraw/zinc/13/70/70/188137070.db2.gz SDBBYJGGEHFMGN-SECBINFHSA-N 0 0 293.754 2.311 10 30 CEEERN C#CCCCCNC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000155112186 188183329 /nfs/dbraw/zinc/18/33/29/188183329.db2.gz ILJGWISXFOGZEA-LBPRGKRZSA-N 0 0 293.392 2.030 10 30 CEEERN C=C(C)CNC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000156573257 188270212 /nfs/dbraw/zinc/27/02/12/188270212.db2.gz MUFNAERZBILJKX-LBPRGKRZSA-N 0 0 297.399 2.261 10 30 CEEERN C=CCCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132675471 366162490 /nfs/dbraw/zinc/16/24/90/366162490.db2.gz ZENQWRXZGSOHAW-NSHDSACASA-N 0 0 269.341 2.363 10 30 CEEERN C#CCSCCNC(=O)N[C@H](C)c1cccs1 ZINC000172365787 188798094 /nfs/dbraw/zinc/79/80/94/188798094.db2.gz YNEFAKJNGFAAGZ-SNVBAGLBSA-N 0 0 268.407 2.475 10 30 CEEERN N#Cc1ccc(-n2cc(Br)c(N)n2)c(F)c1 ZINC000040517087 283120270 /nfs/dbraw/zinc/12/02/70/283120270.db2.gz UBOPBOOKXZLEAU-UHFFFAOYSA-N 0 0 281.088 2.228 10 30 CEEERN CCC[C@H]1C[C@H]1NC(=O)COc1ccc(C#N)cc1 ZINC000075370719 363461149 /nfs/dbraw/zinc/46/11/49/363461149.db2.gz CPDVUVBRYSBAIZ-GXTWGEPZSA-N 0 0 258.321 2.242 10 30 CEEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1C=O ZINC000575391857 366269862 /nfs/dbraw/zinc/26/98/62/366269862.db2.gz XQQRKOXVTOFHHC-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN COC(=O)Cc1c(C)cc(OC(F)(F)F)cc1C#N ZINC000575394330 366272537 /nfs/dbraw/zinc/27/25/37/366272537.db2.gz DNSCAHYCGJZBJM-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN COC(=O)Cc1cc(C(F)(F)F)c(OC)cc1C#N ZINC000575394364 366273652 /nfs/dbraw/zinc/27/36/52/366273652.db2.gz IXIMEVHGSAMCTB-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)c1cc(C(F)(F)F)cc(OC)c1C#N ZINC000575394488 366273865 /nfs/dbraw/zinc/27/38/65/366273865.db2.gz NHWSAKUWUYKEME-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN COC(=O)c1c(OC)ccc(C#N)c1C(F)(F)F ZINC000575395075 366274574 /nfs/dbraw/zinc/27/45/74/366274574.db2.gz WCOSWUDPQDHBSP-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN CCOC(=O)Cc1cc(OCC)cc(C#N)c1OCC ZINC000575670911 366323658 /nfs/dbraw/zinc/32/36/58/366323658.db2.gz NYFLVCBOACGGDT-UHFFFAOYSA-N 0 0 277.320 2.461 10 30 CEEERN CCOc1cc(C#N)c([N+](=O)[O-])cc1OC(F)F ZINC000575659501 366318898 /nfs/dbraw/zinc/31/88/98/366318898.db2.gz VRCZYUVJCFQRKP-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN Cc1cc(N)c(CC#N)cc1I ZINC000575719131 366344555 /nfs/dbraw/zinc/34/45/55/366344555.db2.gz OWWCXHUATKLYJF-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN N#Cc1cccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000135813660 366475101 /nfs/dbraw/zinc/47/51/01/366475101.db2.gz FAZWRLJTTBNNKI-MRXNPFEDSA-N 0 0 293.326 2.247 10 30 CEEERN C#CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000685960277 540659346 /nfs/dbraw/zinc/65/93/46/540659346.db2.gz BVFAZVIXWLHTQC-GHMZBOCLSA-N 0 0 251.326 2.082 10 30 CEEERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)CC[C@@H]1CO1 ZINC000685959658 540658649 /nfs/dbraw/zinc/65/86/49/540658649.db2.gz PAECFMWJEWXOSZ-ZJUUUORDSA-N 0 0 257.330 2.038 10 30 CEEERN C=CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(F)F ZINC000685961619 540662810 /nfs/dbraw/zinc/66/28/10/540662810.db2.gz LZWOWJYKHYRZQY-QMMMGPOBSA-N 0 0 261.268 2.244 10 30 CEEERN C[C@H](C(=O)OC(C)(C)C)N(C)c1ncccc1C#N ZINC000176822558 189010118 /nfs/dbraw/zinc/01/01/18/189010118.db2.gz QSTHMXITXGXINU-SNVBAGLBSA-N 0 0 261.325 2.120 10 30 CEEERN C#CCCOc1ccc(CN2CCC[C@@H]2C(=O)OC)cc1 ZINC000179899040 189226824 /nfs/dbraw/zinc/22/68/24/189226824.db2.gz ZEBRFXZWNKMJOU-MRXNPFEDSA-N 0 0 287.359 2.226 10 30 CEEERN C=C(C)CN(CC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083741207 363786370 /nfs/dbraw/zinc/78/63/70/363786370.db2.gz DYDBIZKBOKFPRL-GFCCVEGCSA-N 0 0 277.372 2.029 10 30 CEEERN CCc1n[nH]c(=NO[C@H]2CCCCO2)c(C#N)c1CC ZINC000301611233 201095683 /nfs/dbraw/zinc/09/56/83/201095683.db2.gz DNLBMEXHXKIQQU-ZDUSSCGKSA-N 0 0 276.340 2.343 10 30 CEEERN CCCC[C@H](CC(=O)NO)[S@@](=O)c1ccccc1 ZINC000013808930 361442181 /nfs/dbraw/zinc/44/21/81/361442181.db2.gz SQIUCETXNXHTSW-KZULUSFZSA-N 0 0 269.366 2.249 10 30 in-vivo CEEERN CCc1nc2n(n1)CCC[C@@H]2NCc1cccc(C#N)c1 ZINC000088757427 363921988 /nfs/dbraw/zinc/92/19/88/363921988.db2.gz MONQFZAVPMPAFR-AWEZNQCLSA-N 0 0 281.363 2.337 10 30 CEEERN C[C@H]1C[C@@H](O)CN(c2ccc(C#N)c(Cl)c2)C1 ZINC000335234563 364667012 /nfs/dbraw/zinc/66/70/12/364667012.db2.gz BNKWLNIYKTYAJM-JOYOIKCWSA-N 0 0 250.729 2.419 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)N1CCS[C@@H](C)C1 ZINC000120586493 365445865 /nfs/dbraw/zinc/44/58/65/365445865.db2.gz GVRPBPJBJWDRLV-NSHDSACASA-N 0 0 260.362 2.444 10 30 CEEERN N#Cc1ccc(F)cc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000160302754 366991776 /nfs/dbraw/zinc/99/17/76/366991776.db2.gz WPBIVIAQBPUNQX-CYBMUJFWSA-N 0 0 299.353 2.201 10 30 CEEERN N#Cc1ccc(-c2ccc(C(N)=O)c3[nH]ccc32)cc1N ZINC000584619408 367174033 /nfs/dbraw/zinc/17/40/33/367174033.db2.gz NNEGEBUVXGNUFB-UHFFFAOYSA-N 0 0 276.299 2.388 10 30 CEEERN CC(C)(C)OC(=O)N[C@H](CO)c1ccc(F)c(C#N)c1 ZINC000584643745 367174589 /nfs/dbraw/zinc/17/45/89/367174589.db2.gz MKXGJVFUZDWRCZ-GFCCVEGCSA-N 0 0 280.299 2.255 10 30 CEEERN Cn1ncnc1CNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000166954703 367333384 /nfs/dbraw/zinc/33/33/84/367333384.db2.gz JWXHHOIAIACPPV-UHFFFAOYSA-N 0 0 281.241 2.318 10 30 CEEERN COC[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171442816 367543937 /nfs/dbraw/zinc/54/39/37/367543937.db2.gz BCDDFHRWHOTPPG-GFCCVEGCSA-N 0 0 272.348 2.332 10 30 CEEERN C[C@H](NC(=O)c1cc(C#N)cn1C)c1cccs1 ZINC000176532778 368248039 /nfs/dbraw/zinc/24/80/39/368248039.db2.gz USOCAOJUYMVNDX-VIFPVBQESA-N 0 0 259.334 2.449 10 30 CEEERN N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCCC[C@H]1O ZINC000177930087 368283420 /nfs/dbraw/zinc/28/34/20/368283420.db2.gz KBZFPFCOPYLQQI-QMTHXVAHSA-N 0 0 291.326 2.370 10 30 CEEERN C=CCCC[C@H](C)NC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000181094415 368421209 /nfs/dbraw/zinc/42/12/09/368421209.db2.gz KVYUMIOHOYFHGD-GJZGRUSLSA-N 0 0 297.443 2.093 10 30 CEEERN C#C[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 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/nfs/dbraw/zinc/24/96/42/175249642.db2.gz DORANAXAVGDOFR-UHFFFAOYSA-N 0 0 291.395 2.107 10 30 CEEERN CCC[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000044809615 175257397 /nfs/dbraw/zinc/25/73/97/175257397.db2.gz OATKQVRUNGCROX-INIZCTEOSA-N 0 0 285.391 2.271 10 30 CEEERN COc1ccc(NC(=O)[C@H](C#N)C(C)C)c(OC)c1 ZINC000044809260 175257598 /nfs/dbraw/zinc/25/75/98/175257598.db2.gz NFKCQKJGBSLWOC-LLVKDONJSA-N 0 0 262.309 2.438 10 30 CEEERN COCCN(CC(C)C)C(=O)[C@H](C#N)Cc1ccccc1 ZINC000044826208 175259244 /nfs/dbraw/zinc/25/92/44/175259244.db2.gz UIICNSQMLPGEOW-INIZCTEOSA-N 0 0 288.391 2.500 10 30 CEEERN CCO[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccccc2)C1 ZINC000044826375 175259658 /nfs/dbraw/zinc/25/96/58/175259658.db2.gz RXBPOYVAHRDLDQ-JKSUJKDBSA-N 0 0 286.375 2.396 10 30 CEEERN CCN(C(=O)[C@H](C#N)Cc1ccccc1)[C@@H](C)COC ZINC000044827459 175259924 /nfs/dbraw/zinc/25/99/24/175259924.db2.gz DTYGTXSIZZTQLF-ZFWWWQNUSA-N 0 0 274.364 2.252 10 30 CEEERN CCN(C(=O)C1(C#N)CCOCC1)c1cccc(F)c1 ZINC000044880734 175269486 /nfs/dbraw/zinc/26/94/86/175269486.db2.gz GNFHFOHZPHQIAU-UHFFFAOYSA-N 0 0 276.311 2.499 10 30 CEEERN CCCN(CC#N)C(=O)c1c(OC)cccc1OC ZINC000045092338 175306440 /nfs/dbraw/zinc/30/64/40/175306440.db2.gz OAOLOLQLRXOTQI-UHFFFAOYSA-N 0 0 262.309 2.080 10 30 CEEERN CCN[C@](C#N)(CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000045179133 175324072 /nfs/dbraw/zinc/32/40/72/175324072.db2.gz PRASTSIVUKVOOW-HLLBOEOZSA-N 0 0 287.407 2.124 10 30 CEEERN C[C@H]1C[C@H](C)CN(C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045178644 175324150 /nfs/dbraw/zinc/32/41/50/175324150.db2.gz GVVMQNSUILCUQN-DZKIICNBSA-N 0 0 257.381 2.342 10 30 CEEERN CCN[C@](C#N)(CN1CCC(OC)CC1)c1ccccc1 ZINC000045180738 175324888 /nfs/dbraw/zinc/32/48/88/175324888.db2.gz WNTWAQQZXMKRPX-QGZVFWFLSA-N 0 0 287.407 2.126 10 30 CEEERN CC[C@H](C)N(CCOC)C[C@@](N)(C#N)c1ccccc1 ZINC000045182700 175325751 /nfs/dbraw/zinc/32/57/51/175325751.db2.gz KLYFDFNTAFCCII-HOCLYGCPSA-N 0 0 275.396 2.111 10 30 CEEERN CC(C)N[C@@](C)(C#N)COc1ccc([N+](=O)[O-])cc1 ZINC000045214873 175329513 /nfs/dbraw/zinc/32/95/13/175329513.db2.gz IACZVJMKSGPNNQ-ZDUSSCGKSA-N 0 0 263.297 2.254 10 30 CEEERN CCN[C@](C)(C#N)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000045215614 175329561 /nfs/dbraw/zinc/32/95/61/175329561.db2.gz UHBPSNAEPMILBD-GFCCVEGCSA-N 0 0 267.260 2.004 10 30 CEEERN Cc1c(OC[C@](C)(C#N)NC2CC2)cccc1[N+](=O)[O-] ZINC000045214643 175329653 /nfs/dbraw/zinc/32/96/53/175329653.db2.gz CNYMBZNQFMFNNT-AWEZNQCLSA-N 0 0 275.308 2.316 10 30 CEEERN C[C@@](C#N)(COc1ccc([N+](=O)[O-])c(F)c1)NC1CC1 ZINC000045215630 175329730 /nfs/dbraw/zinc/32/97/30/175329730.db2.gz KKBLLWBJBLNCQK-CYBMUJFWSA-N 0 0 279.271 2.147 10 30 CEEERN CCN[C@H](C#N)CN1CCC(Cc2ccccc2)CC1 ZINC000045308536 175356475 /nfs/dbraw/zinc/35/64/75/175356475.db2.gz YDRTUWYYLRNBMY-QGZVFWFLSA-N 0 0 271.408 2.443 10 30 CEEERN CN[C@@](C)(C#N)CCCn1ccc(C(F)(F)F)n1 ZINC000045322865 175359606 /nfs/dbraw/zinc/35/96/06/175359606.db2.gz PCAHABTVYMBBDE-SNVBAGLBSA-N 0 0 260.263 2.184 10 30 CEEERN CN[C@@](C)(C#N)CCCCOc1ccc2c(c1)OCO2 ZINC000045326321 175359653 /nfs/dbraw/zinc/35/96/53/175359653.db2.gz YSPHRVGDZJGESB-OAHLLOKOSA-N 0 0 276.336 2.466 10 30 CEEERN CCN[C@@](C)(C#N)CCCCOCCOC(C)C ZINC000045326256 175359868 /nfs/dbraw/zinc/35/98/68/175359868.db2.gz VPXUIGFGNSSGAK-CQSZACIVSA-N 0 0 256.390 2.490 10 30 CEEERN COCCc1ccc(OCCC[C@](C)(N)C#N)cc1 ZINC000045329903 175360097 /nfs/dbraw/zinc/36/00/97/175360097.db2.gz YHMVYJPMMTTXPT-HNNXBMFYSA-N 0 0 262.353 2.275 10 30 CEEERN Cc1c(OC[C@@H](C#N)NC(C)C)cccc1[N+](=O)[O-] ZINC000045331463 175360280 /nfs/dbraw/zinc/36/02/80/175360280.db2.gz LYBJCEAGVNTVDQ-LLVKDONJSA-N 0 0 263.297 2.172 10 30 CEEERN CN[C@](C)(C#N)CCCOc1ccccc1[N+](=O)[O-] ZINC000045331113 175360361 /nfs/dbraw/zinc/36/03/61/175360361.db2.gz FNIISWHCQMXXTR-ZDUSSCGKSA-N 0 0 263.297 2.255 10 30 CEEERN N#C[C@@H](N)CSc1ccccc1Br ZINC000045333209 175360589 /nfs/dbraw/zinc/36/05/89/175360589.db2.gz HZNKOIYWHXWFEH-SSDOTTSWSA-N 0 0 257.156 2.392 10 30 CEEERN Cn1ccnc1SCc1cccc(C#CCO)c1 ZINC000049622550 175495746 /nfs/dbraw/zinc/49/57/46/175495746.db2.gz LWSMGGCUVSQKIT-UHFFFAOYSA-N 0 0 258.346 2.056 10 30 CEEERN C[C@H]1CCCCN1S(=O)(=O)N(C)c1ccc(C#N)cc1 ZINC000061955264 175659332 /nfs/dbraw/zinc/65/93/32/175659332.db2.gz BBPHXHOXEICGBI-LBPRGKRZSA-N 0 0 293.392 2.114 10 30 CEEERN C=C(COc1cc(OC)cc(OC)c1)C(=O)OCC ZINC000070380743 175902068 /nfs/dbraw/zinc/90/20/68/175902068.db2.gz ZABXLSUGBWQIHP-UHFFFAOYSA-N 0 0 266.293 2.202 10 30 CEEERN CCC(C#N)(CC)NC(=O)[C@@H]1COc2ccccc21 ZINC000070392068 175906947 /nfs/dbraw/zinc/90/69/47/175906947.db2.gz PWCYABMOFCZTCF-GFCCVEGCSA-N 0 0 258.321 2.361 10 30 CEEERN N#Cc1ccccc1-n1cc(I)cn1 ZINC000070677577 176001083 /nfs/dbraw/zinc/00/10/83/176001083.db2.gz PMTPMTSSRNXUPA-UHFFFAOYSA-N 0 0 295.083 2.349 10 30 CEEERN N#CCCCCNC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000070987822 176018649 /nfs/dbraw/zinc/01/86/49/176018649.db2.gz BWSKYOYIMYHFQD-UHFFFAOYSA-N 0 0 265.244 2.158 10 30 CEEERN CC[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(C)C ZINC000071140735 176038794 /nfs/dbraw/zinc/03/87/94/176038794.db2.gz OIFHEJYPVAMKNZ-ZDUSSCGKSA-N 0 0 284.356 2.410 10 30 CEEERN C[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccccc1C#N ZINC000071209407 176082116 /nfs/dbraw/zinc/08/21/16/176082116.db2.gz PONRTBPEQKRYCX-BXUZGUMPSA-N 0 0 278.377 2.166 10 30 CEEERN COCCN(CCC#N)c1ncccc1C(F)(F)F ZINC000071231408 176091824 /nfs/dbraw/zinc/09/18/24/176091824.db2.gz CNQGDKKGXJUXOD-UHFFFAOYSA-N 0 0 273.258 2.467 10 30 CEEERN COc1ccc(C#CCCO)cc1N1CCCCCC1=O ZINC000071278309 176107649 /nfs/dbraw/zinc/10/76/49/176107649.db2.gz YYNFONIUHMFOPG-UHFFFAOYSA-N 0 0 287.359 2.336 10 30 CEEERN Cc1cc(C(=O)NCc2cc(C#CCO)cs2)c(C)o1 ZINC000071321950 176122605 /nfs/dbraw/zinc/12/26/05/176122605.db2.gz CJXXZDMNUOGNFG-UHFFFAOYSA-N 0 0 289.356 2.232 10 30 CEEERN Cc1ccncc1NC(=O)c1ccc(C#CCO)s1 ZINC000071414767 176160057 /nfs/dbraw/zinc/16/00/57/176160057.db2.gz RHAVAMVRAPTIDW-UHFFFAOYSA-N 0 0 272.329 2.048 10 30 CEEERN C=CCN(CCC(=O)OC)C(=O)c1ccc(F)cc1 ZINC000071608374 176230507 /nfs/dbraw/zinc/23/05/07/176230507.db2.gz JEXPPHZQWIWTTJ-UHFFFAOYSA-N 0 0 265.284 2.017 10 30 CEEERN COC(=O)CCCN1C(=O)c2c(cccc2Cl)C1C#N ZINC000071678911 176243393 /nfs/dbraw/zinc/24/33/93/176243393.db2.gz UKLGOHFIQOCEQI-NSHDSACASA-N 0 0 292.722 2.314 10 30 CEEERN CC[C@@H](CO)N1C(=O)c2c(cccc2Cl)C1C#N ZINC000071678890 176243608 /nfs/dbraw/zinc/24/36/08/176243608.db2.gz QICLWVWXCSHEAM-GZMMTYOYSA-N 0 0 264.712 2.131 10 30 CEEERN CC(C)(CO)N1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680941 176245243 /nfs/dbraw/zinc/24/52/43/176245243.db2.gz DETAPECTFUKORJ-NSHDSACASA-N 0 0 298.264 2.497 10 30 CEEERN COc1cc2c(c(OC)c1OC)C(C#N)N(C(C)C)C2=O ZINC000071682228 176245343 /nfs/dbraw/zinc/24/53/43/176245343.db2.gz OGCWWSKZACUQRA-SNVBAGLBSA-N 0 0 290.319 2.141 10 30 CEEERN COC(OC)[C@H](C)Nc1cc(C#N)cc(F)c1C ZINC000079615651 177525639 /nfs/dbraw/zinc/52/56/39/177525639.db2.gz QYJBIVJVOCOXPP-VIFPVBQESA-N 0 0 252.289 2.425 10 30 CEEERN N#C[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1 ZINC000079806803 177562344 /nfs/dbraw/zinc/56/23/44/177562344.db2.gz NXHJZRRIOGIPIM-AWEZNQCLSA-N 0 0 266.304 2.000 10 30 CEEERN COc1ccc(C#CCO)cc1Cn1cc(Cl)c(C)n1 ZINC000080014256 177595393 /nfs/dbraw/zinc/59/53/93/177595393.db2.gz NQPXDVZLPBLROZ-UHFFFAOYSA-N 0 0 290.750 2.246 10 30 CEEERN Cc1n[nH]cc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000080043864 177600658 /nfs/dbraw/zinc/60/06/58/177600658.db2.gz REWKKNOPPUBEOD-UHFFFAOYSA-N 0 0 260.684 2.496 10 30 CEEERN O=C(CCc1cncc(F)c1)NCCC1(O)CCOCC1 ZINC000329112521 227304594 /nfs/dbraw/zinc/30/45/94/227304594.db2.gz KQQIZRWWQMQTKF-UHFFFAOYSA-N 0 0 296.342 2.041 10 30 CEEERN C[C@]1(C(=O)NCCc2cscn2)CCCNC1=O ZINC000330246117 228079209 /nfs/dbraw/zinc/07/92/09/228079209.db2.gz YASCDSFCMUIYSR-LBPRGKRZSA-N 0 0 267.354 2.399 10 30 CEEERN O=C(NCCC1CC(O)C1)N1CCc2ccccc21 ZINC000330326939 228148211 /nfs/dbraw/zinc/14/82/11/228148211.db2.gz KNKMMQUYVBIWBN-UHFFFAOYSA-N 0 0 260.337 2.124 10 30 CEEERN Cc1nn(C)c2sc(C(=O)N[C@H]3CCC[C@H]3C#N)cc12 ZINC000336080535 228185713 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COC[C@H](NC(=O)[C@@H](C#N)c1ccccc1)C(C)C ZINC000086700790 179321538 /nfs/dbraw/zinc/32/15/38/179321538.db2.gz JZCSDPFWAUSHLD-KBPBESRZSA-N 0 0 260.337 2.081 10 30 CEEERN CS(=O)(=O)[C@@H]1CCC[C@H]1Nc1ccc(CC#N)cc1 ZINC000086673661 179318020 /nfs/dbraw/zinc/31/80/20/179318020.db2.gz TXVPYTZXLPDAJX-ZIAGYGMSSA-N 0 0 278.377 2.130 10 30 CEEERN C=CCOc1ccc(C(=O)N[C@H]2CCC[C@@H](O)C2)cc1 ZINC000614148295 348151184 /nfs/dbraw/zinc/15/11/84/348151184.db2.gz WZYDCIPNVCTMQY-UONOGXRCSA-N 0 0 275.348 2.285 10 30 CEEERN C=CCCOc1nc(Br)cn2ccnc12 ZINC000086974173 179371236 /nfs/dbraw/zinc/37/12/36/179371236.db2.gz CJSFGIBMKWYWTH-UHFFFAOYSA-N 0 0 268.114 2.447 10 30 CEEERN CC1(C)CCC(O)(CNc2ncc(N)cc2C#N)CC1 ZINC000087046671 179388324 /nfs/dbraw/zinc/38/83/24/179388324.db2.gz HGSXCWNVPWANDS-UHFFFAOYSA-N 0 0 274.368 2.279 10 30 CEEERN CCOCCCOc1ccc(C#CCCO)c(F)c1 ZINC000087438371 179426524 /nfs/dbraw/zinc/42/65/24/179426524.db2.gz QKWSOFVCPHKLMO-UHFFFAOYSA-N 0 0 266.312 2.365 10 30 CEEERN Cc1csc(NC(=O)c2cc(C#CCO)ccc2C)n1 ZINC000087745846 179479889 /nfs/dbraw/zinc/47/98/89/179479889.db2.gz HBYCTLJTUUGRCB-UHFFFAOYSA-N 0 0 286.356 2.356 10 30 CEEERN COc1ccc(C#CCO)c(CSc2ncccn2)c1 ZINC000087788857 179486183 /nfs/dbraw/zinc/48/61/83/179486183.db2.gz UJCNJFBJBNAKSB-UHFFFAOYSA-N 0 0 286.356 2.121 10 30 CEEERN C#CCNCC(=O)Nc1ccc(Cl)cc1Cl ZINC000087555824 179445988 /nfs/dbraw/zinc/44/59/88/179445988.db2.gz FXXGFFZKHNBLCE-UHFFFAOYSA-N 0 0 257.120 2.155 10 30 CEEERN CC(C)(C#N)CC[S@@](=O)c1nc2cc(N)ccc2o1 ZINC000087594531 179451304 /nfs/dbraw/zinc/45/13/04/179451304.db2.gz ICAPDJOMNDUHJR-IBGZPJMESA-N 0 0 277.349 2.457 10 30 CEEERN CS(=O)(=O)N1CCC[C@H](c2ccc(C#N)cc2)CC1 ZINC000616631160 348540920 /nfs/dbraw/zinc/54/09/20/348540920.db2.gz TYYCYTLGCQBRKN-ZDUSSCGKSA-N 0 0 278.377 2.087 10 30 CEEERN CCOC(=O)N1CCOC[C@H]1c1ccccc1C#N ZINC000616640381 348544196 /nfs/dbraw/zinc/54/41/96/348544196.db2.gz ZECIECPEXBMMTF-ZDUSSCGKSA-N 0 0 260.293 2.088 10 30 CEEERN 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Cc1ccc(N)cc1NC(=O)c1ccc(C#N)cn1 ZINC000104224387 185936142 /nfs/dbraw/zinc/93/61/42/185936142.db2.gz TZJXZCMDXFVHCD-UHFFFAOYSA-N 0 0 252.277 2.096 10 30 CEEERN Cc1cc(COc2ccc(C)cc2C#CCCO)n(C)n1 ZINC000089201523 179752765 /nfs/dbraw/zinc/75/27/65/179752765.db2.gz UZUZCWXNQVELQX-UHFFFAOYSA-N 0 0 284.359 2.350 10 30 CEEERN Cc1nn(C)c(C[C@@]2(C#N)CCCC2=O)c1Cl ZINC000089272700 179763845 /nfs/dbraw/zinc/76/38/45/179763845.db2.gz PQQXJNFLDFVONP-GFCCVEGCSA-N 0 0 251.717 2.187 10 30 CEEERN CC(C)(C#N)CCC[NH2+]C[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000089443126 179790615 /nfs/dbraw/zinc/79/06/15/179790615.db2.gz GEFATVOJAVCAOF-NEPJUHHUSA-N 0 0 252.358 2.407 10 30 CEEERN Cc1cc(C(=O)NCC#CCOc2ccccc2C)no1 ZINC000090729466 180033783 /nfs/dbraw/zinc/03/37/83/180033783.db2.gz MDEMODFKRUFETD-UHFFFAOYSA-N 0 0 284.315 2.104 10 30 CEEERN N#CCCN(c1ncncc1Br)C1CC1 ZINC000090780649 180038626 /nfs/dbraw/zinc/03/86/26/180038626.db2.gz JRRGLQNQPQQMBY-UHFFFAOYSA-N 0 0 267.130 2.122 10 30 CEEERN N#Cc1ccc(NC(=O)c2csc(CN)n2)cc1Cl ZINC000090930181 180063747 /nfs/dbraw/zinc/06/37/47/180063747.db2.gz ULMGQDGQPFBVIJ-UHFFFAOYSA-N 0 0 292.751 2.379 10 30 CEEERN O=C(Nc1ccccc1C#CCO)[C@@H]1Cc2ccccc21 ZINC000090985700 180080784 /nfs/dbraw/zinc/08/07/84/180080784.db2.gz HPBXUAJTIAKDDL-MRXNPFEDSA-N 0 0 277.323 2.309 10 30 CEEERN CCCN[C@](C#N)(CSC[C@H](C)CO)C1CC1 ZINC000091258170 180115423 /nfs/dbraw/zinc/11/54/23/180115423.db2.gz AMVHRJBTWZEQDY-DGCLKSJQSA-N 0 0 256.415 2.020 10 30 CEEERN CCCN[C@](C)(C#N)CCCSC[C@@H](C)CO ZINC000091258196 180115440 /nfs/dbraw/zinc/11/54/40/180115440.db2.gz GVNXHRQGFQCRQI-STQMWFEESA-N 0 0 258.431 2.410 10 30 CEEERN C[C@H]1CCCN(C(=O)c2ccncc2C#CCCO)[C@H]1C ZINC000091459135 180160952 /nfs/dbraw/zinc/16/09/52/180160952.db2.gz MBPYWWVVEWQAQT-KBPBESRZSA-N 0 0 286.375 2.076 10 30 CEEERN Cc1ccccc1NC(=O)c1ccncc1C#CCCO ZINC000091457719 180161091 /nfs/dbraw/zinc/16/10/91/180161091.db2.gz ZWDMCBBDZJOJKJ-UHFFFAOYSA-N 0 0 280.327 2.376 10 30 CEEERN CSC1(C#N)CCN(C(=O)c2cncc(C)c2)CC1 ZINC000091475984 180166254 /nfs/dbraw/zinc/16/62/54/180166254.db2.gz WHEBUTDURMHTFJ-UHFFFAOYSA-N 0 0 275.377 2.251 10 30 CEEERN N#C[C@H]1CNCCN1Cc1ccc(Cl)cc1Cl ZINC000091749317 180245853 /nfs/dbraw/zinc/24/58/53/180245853.db2.gz HLVGSRLBDSRVGX-NSHDSACASA-N 0 0 270.163 2.291 10 30 CEEERN COc1ccc(Cn2cccc2[C@H](C)O)cc1C#N ZINC000091798939 180257907 /nfs/dbraw/zinc/25/79/07/180257907.db2.gz DPHNXUPJILCTGM-NSHDSACASA-N 0 0 256.305 2.470 10 30 CEEERN COCC[C@@](C)(O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000091878522 180278674 /nfs/dbraw/zinc/27/86/74/180278674.db2.gz DYAAIZFEKNOVHD-CVEARBPZSA-N 0 0 259.349 2.473 10 30 CEEERN Cn1cc([C@@H](O)[C@]2(C#N)CCCc3ccccc32)cn1 ZINC000091881001 180279324 /nfs/dbraw/zinc/27/93/24/180279324.db2.gz PIAGXNBVUMFFHQ-CVEARBPZSA-N 0 0 267.332 2.251 10 30 CEEERN CCCOc1ccc([C@@H](O)[C@@]2(C#N)CCOC2)cc1 ZINC000091879449 180279362 /nfs/dbraw/zinc/27/93/62/180279362.db2.gz BGWCXRJPQKYWFY-HUUCEWRRSA-N 0 0 261.321 2.439 10 30 CEEERN COc1cccc([C@H](O)C2(C#N)CCOCC2)c1OC ZINC000091881430 180279618 /nfs/dbraw/zinc/27/96/18/180279618.db2.gz ZLRSJXYHZOKDJV-AWEZNQCLSA-N 0 0 277.320 2.058 10 30 CEEERN CC(C)Oc1cccc([C@@H](O)[C@]2(C#N)CCOC2)c1 ZINC000091879715 180279652 /nfs/dbraw/zinc/27/96/52/180279652.db2.gz MTTJIGSMRVFWOU-CABCVRRESA-N 0 0 261.321 2.437 10 30 CEEERN N#C[C@@]1([C@@]2(O)CCCOC2)CCCc2ccccc21 ZINC000091885862 180279924 /nfs/dbraw/zinc/27/99/24/180279924.db2.gz IPBULUYJZFKMBW-JKSUJKDBSA-N 0 0 257.333 2.326 10 30 CEEERN N#CC1([C@H](O)[C@H]2CCCOC2)Cc2ccccc2C1 ZINC000091884358 180279959 /nfs/dbraw/zinc/27/99/59/180279959.db2.gz XZKDRWFPPFYHKX-LSDHHAIUSA-N 0 0 257.333 2.083 10 30 CEEERN N#C[C@@]1([C@H](O)c2ccoc2)COc2ccccc2C1 ZINC000091883645 180280042 /nfs/dbraw/zinc/28/00/42/180280042.db2.gz MDSLPODGRNKTJC-HUUCEWRRSA-N 0 0 255.273 2.458 10 30 CEEERN N#C[C@]1([C@@H](O)c2ccc(Cl)c(F)c2)CCOC1 ZINC000091883752 180280186 /nfs/dbraw/zinc/28/01/86/180280186.db2.gz WXJVBNWFCYQZOE-NWDGAFQWSA-N 0 0 255.676 2.443 10 30 CEEERN CCC[C@@H](C#N)N1CCN(C(=O)N2CCCCCC2)CC1 ZINC000091971291 180295063 /nfs/dbraw/zinc/29/50/63/180295063.db2.gz PGLSPQMSZWPBGT-HNNXBMFYSA-N 0 0 292.427 2.292 10 30 CEEERN CCCC1CCC(C#N)([C@H](O)C(OC)OC)CC1 ZINC000091904131 180283063 /nfs/dbraw/zinc/28/30/63/180283063.db2.gz CSVBUJFLYKJXNP-MBHSVXNSSA-N 0 0 255.358 2.466 10 30 CEEERN C#CCCOC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C ZINC000105761062 186070340 /nfs/dbraw/zinc/07/03/40/186070340.db2.gz CFLPPZJMUUDVPT-LLVKDONJSA-N 0 0 269.341 2.246 10 30 CEEERN CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092131547 180330012 /nfs/dbraw/zinc/33/00/12/180330012.db2.gz FCEZAHYGJFQEES-NEPJUHHUSA-N 0 0 280.393 2.466 10 30 CEEERN C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2)C[C@H]1C ZINC000092132442 180330040 /nfs/dbraw/zinc/33/00/40/180330040.db2.gz SOXODKYQHZXYOK-VXGBXAGGSA-N 0 0 278.377 2.029 10 30 CEEERN C=CCNC(=O)[C@@H](C)Oc1cccc2c1CCC[C@@H]2O ZINC000105869434 186081346 /nfs/dbraw/zinc/08/13/46/186081346.db2.gz ONUHBNZTVACCCT-RISCZKNCSA-N 0 0 275.348 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C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000191298134 395354681 /nfs/dbraw/zinc/35/46/81/395354681.db2.gz LEWLZRFGBMTXDT-GXFFZTMASA-N 0 0 276.311 2.129 10 30 CEEERN COC(=O)Cc1c(C#N)cc(F)cc1C(F)(F)F ZINC000575344854 395660300 /nfs/dbraw/zinc/66/03/00/395660300.db2.gz BTMHXXXZMONBEH-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1C#N ZINC000575382958 395662578 /nfs/dbraw/zinc/66/25/78/395662578.db2.gz XTTWKPISPZQXNW-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1cc(Br)c(OC)c(C#N)c1 ZINC000575382989 395662592 /nfs/dbraw/zinc/66/25/92/395662592.db2.gz ALIDJTLDMOEZJT-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)c1ccc(Br)c(C#N)c1[N+](=O)[O-] ZINC000575383373 395662613 /nfs/dbraw/zinc/66/26/13/395662613.db2.gz DBYAPBIZPQHUBL-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCOC(=O)Cc1cc(O)c(C#N)c(C(F)F)c1 ZINC000575387287 395663162 /nfs/dbraw/zinc/66/31/62/395663162.db2.gz ADSCHYPNAALYQJ-UHFFFAOYSA-N 0 0 255.220 2.307 10 30 CEEERN COC(=O)Cc1c(C#N)cc(C(F)F)cc1C=O ZINC000575387291 395663195 /nfs/dbraw/zinc/66/31/95/395663195.db2.gz AJGKYYQJRZNIGH-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN CCOC(=O)Cc1c(O)c(C#N)ccc1C(F)F ZINC000575387736 395663383 /nfs/dbraw/zinc/66/33/83/395663383.db2.gz NCCDWXOPZPKLHN-UHFFFAOYSA-N 0 0 255.220 2.307 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(C(F)F)cc1CO ZINC000575387747 395663407 /nfs/dbraw/zinc/66/34/07/395663407.db2.gz NIHYKDQJXDNLHE-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575388387 395663620 /nfs/dbraw/zinc/66/36/20/395663620.db2.gz SVLSUIBJPWWMRT-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)c1cc(C#N)c(C(F)F)cc1C=O ZINC000575389429 395664073 /nfs/dbraw/zinc/66/40/73/395664073.db2.gz HMXOXDBYILEGGH-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN COC(=O)c1cc(F)cc(C#N)c1OC(F)(F)F ZINC000575390344 395664080 /nfs/dbraw/zinc/66/40/80/395664080.db2.gz BEUTYNASGZKGFI-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN COC(=O)c1ccc([N+](=O)[O-])c(C(F)F)c1C#N ZINC000575389143 395664107 /nfs/dbraw/zinc/66/41/07/395664107.db2.gz AFIAYFJZKDRBBE-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COC(=O)c1cc(F)c(C#N)cc1OC(F)(F)F ZINC000575390406 395664210 /nfs/dbraw/zinc/66/42/10/395664210.db2.gz JCRWCTUHLIZUEX-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN COC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000336075886 292097527 /nfs/dbraw/zinc/09/75/27/292097527.db2.gz YTWICCVWQPJRDP-NEPJUHHUSA-N 0 0 250.342 2.144 10 30 CEEERN COC(=O)c1ccc(C#Cc2cc(OC)ccc2N)cc1 ZINC000521401694 400602574 /nfs/dbraw/zinc/60/25/74/400602574.db2.gz MUHBDWDXKKFUAD-UHFFFAOYSA-N 0 0 281.311 2.464 10 30 CEEERN Cn1cc([C@H]2CCCN2c2ccncc2C#N)cn1 ZINC000375104582 157053134 /nfs/dbraw/zinc/05/31/34/157053134.db2.gz HAQXCBMIFFWRSR-CYBMUJFWSA-N 0 0 253.309 2.028 10 30 CEEERN CC1(C)CC[C@@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)O1 ZINC000005462312 170101602 /nfs/dbraw/zinc/10/16/02/170101602.db2.gz ALRXDRQNAJOPCP-LBPRGKRZSA-N 0 0 288.299 2.361 10 30 biogenic,in-vitro CEEERN CNC(=S)Nc1sc2c(c1C#N)CCCC2 ZINC000005566428 170114183 /nfs/dbraw/zinc/11/41/83/170114183.db2.gz RTMPCRMVUKULJN-UHFFFAOYSA-N 0 0 251.380 2.415 10 30 CEEERN Cc1ccc(S(=O)(=O)c2cccc(N)c2C#N)cc1 ZINC000005930941 170157345 /nfs/dbraw/zinc/15/73/45/170157345.db2.gz RDGYQSLTDBICQU-UHFFFAOYSA-N 0 0 272.329 2.282 10 30 in-vivo CEEERN COC(=O)CCS[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000007658627 170296535 /nfs/dbraw/zinc/29/65/35/170296535.db2.gz ZZTFDFBQOOSQCW-JTQLQIEISA-N 0 0 292.360 2.182 10 30 CEEERN CCN(c1cc(/C(N)=N/O)ccn1)C1CCCCC1 ZINC000019424197 170794232 /nfs/dbraw/zinc/79/42/32/170794232.db2.gz FNTDJQINQNYXCK-UHFFFAOYSA-N 0 0 262.357 2.335 10 30 CEEERN N#Cc1ccc(NC(=O)[C@H]2CNc3ccccc3O2)cc1 ZINC000019505639 170818283 /nfs/dbraw/zinc/81/82/83/170818283.db2.gz FBGAHVZQCQQAPU-OAHLLOKOSA-N 0 0 279.299 2.370 10 30 CEEERN CC(C)(C(=O)N1CCC(=NO)CC1)c1ccccc1 ZINC000019510278 170820205 /nfs/dbraw/zinc/82/02/05/170820205.db2.gz KKBCNYZLTFGDNK-UHFFFAOYSA-N 0 0 260.337 2.417 10 30 CEEERN N/C(CCSc1ccc(C(F)(F)F)cn1)=N\O ZINC000019847828 170896978 /nfs/dbraw/zinc/89/69/78/170896978.db2.gz CAOKSHWVBJDNCR-UHFFFAOYSA-N 0 0 265.260 2.329 10 30 CEEERN N#CCNC(=O)CNc1cc(C(F)(F)F)ccc1Cl ZINC000020038257 170975030 /nfs/dbraw/zinc/97/50/30/170975030.db2.gz OPBAFGQKLJEIBU-UHFFFAOYSA-N 0 0 291.660 2.410 10 30 CEEERN COc1cc([C@H](C#N)NC2CC2)cc(OC)c1OC ZINC000020176087 171042217 /nfs/dbraw/zinc/04/22/17/171042217.db2.gz AWUHCFQYEIRBCV-NSHDSACASA-N 0 0 262.309 2.029 10 30 CEEERN N/C(=N\O)c1cccnc1Oc1ccc2c(c1)CCC2 ZINC000020297046 171136623 /nfs/dbraw/zinc/13/66/23/171136623.db2.gz VLGIXSXCTBUNNC-UHFFFAOYSA-N 0 0 269.304 2.457 10 30 CEEERN C=CCNC(=O)[C@H](C)Oc1c(C)cc(C=O)cc1C ZINC000020360688 171159652 /nfs/dbraw/zinc/15/96/52/171159652.db2.gz QDVUJNZXOABMRS-LBPRGKRZSA-N 0 0 261.321 2.185 10 30 CEEERN CCCNC(=O)[C@@H](C)Oc1ccccc1/C(C)=N/O ZINC000020422073 171188571 /nfs/dbraw/zinc/18/85/71/171188571.db2.gz LSJQPENDLDFURG-HPUUJOOBSA-N 0 0 264.325 2.178 10 30 CEEERN C#CCNCC(=O)Nc1c(Cl)cccc1Cl ZINC000035159925 172017522 /nfs/dbraw/zinc/01/75/22/172017522.db2.gz LXEITPMHHKOEQV-UHFFFAOYSA-N 0 0 257.120 2.155 10 30 CEEERN C=CC(=O)Nc1sc(C(=O)OCC)c(C)c1C#N ZINC000035160122 172018681 /nfs/dbraw/zinc/01/86/81/172018681.db2.gz HPWYGNSZLGWYCY-UHFFFAOYSA-N 0 0 264.306 2.229 10 30 CEEERN N#CC(=NNc1ccc(F)cc1)C1=NC(=O)CS1 ZINC000035575963 172272966 /nfs/dbraw/zinc/27/29/66/172272966.db2.gz FBNPGXITBXYOKF-SXGWCWSVSA-N 0 0 262.269 2.328 10 30 CEEERN N#CCCNC(=O)CSc1ccc(N)cc1Cl ZINC000037205083 173027783 /nfs/dbraw/zinc/02/77/83/173027783.db2.gz FMGCLLIOOSIIJA-UHFFFAOYSA-N 0 0 269.757 2.044 10 30 CEEERN COc1cc(C=O)c([N+](=O)[O-])cc1OCCCC#N ZINC000037226421 173046711 /nfs/dbraw/zinc/04/67/11/173046711.db2.gz XFQDKNNKEIBKHK-UHFFFAOYSA-N 0 0 264.237 2.098 10 30 CEEERN COC(=O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000037257232 173067852 /nfs/dbraw/zinc/06/78/52/173067852.db2.gz VCRGFXQKAYPLTL-FZMZJTMJSA-N 0 0 260.337 2.406 10 30 CEEERN N#CCCN(Cc1cccnc1)c1ccc(Cl)nn1 ZINC000037330034 173131024 /nfs/dbraw/zinc/13/10/24/173131024.db2.gz FTOHHJPLGTVNSN-UHFFFAOYSA-N 0 0 273.727 2.445 10 30 CEEERN CC[C@H](C)N(C)C(=O)c1cccc(C#CCCO)c1 ZINC000037568326 173517475 /nfs/dbraw/zinc/51/74/75/173517475.db2.gz LNQPOUGXVYTWOS-ZDUSSCGKSA-N 0 0 259.349 2.291 10 30 CEEERN N#C[C@]1(NC[C@@H]2CCCO2)CCc2ccccc2C1 ZINC000037940307 173879595 /nfs/dbraw/zinc/87/95/95/173879595.db2.gz HVZBJXZFGGYWGN-HOTGVXAUSA-N 0 0 256.349 2.206 10 30 CEEERN COc1ccc(N)cc1CNc1cc(C#N)ccn1 ZINC000038033512 174031320 /nfs/dbraw/zinc/03/13/20/174031320.db2.gz BXKPYMMJRVMRLJ-UHFFFAOYSA-N 0 0 254.293 2.156 10 30 CEEERN Cc1noc(CNc2c(C#N)cnc3ccccc32)n1 ZINC000038035126 174033541 /nfs/dbraw/zinc/03/35/41/174033541.db2.gz BPMYPHWZWUKPHE-UHFFFAOYSA-N 0 0 265.276 2.410 10 30 CEEERN N#Cc1ccsc1NC(=O)COc1ccccc1N ZINC000040222620 174207318 /nfs/dbraw/zinc/20/73/18/174207318.db2.gz KENHPLRJPXCYBM-UHFFFAOYSA-N 0 0 273.317 2.219 10 30 CEEERN N#Cc1ccnc(-n2ccnc2-c2ccc(N)cc2)c1 ZINC000040516981 174307579 /nfs/dbraw/zinc/30/75/79/174307579.db2.gz RNFQFXOWWALBIP-UHFFFAOYSA-N 0 0 261.288 2.388 10 30 CEEERN N#Cc1ccc(F)c(COC(=O)c2ccc(N)cc2N)c1 ZINC000041094059 174478474 /nfs/dbraw/zinc/47/84/74/174478474.db2.gz GWWUUPPRRMUALV-UHFFFAOYSA-N 0 0 285.278 2.219 10 30 CEEERN C[C@@H](O)c1ccc(NC(=O)N(C)C[C@H](C)C#N)cc1 ZINC000042462376 174752188 /nfs/dbraw/zinc/75/21/88/174752188.db2.gz ZNHXMIARWUAZML-GHMZBOCLSA-N 0 0 261.325 2.363 10 30 CEEERN CC(C)N(CCC#N)c1cc2c(cc1N)OCCO2 ZINC000042528808 174779111 /nfs/dbraw/zinc/77/91/11/174779111.db2.gz KBQPLLPEJBYPSV-UHFFFAOYSA-N 0 0 261.325 2.168 10 30 CEEERN CC[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000042593238 174812806 /nfs/dbraw/zinc/81/28/06/174812806.db2.gz ZBOUHMNBRJFVHB-ZDUSSCGKSA-N 0 0 266.366 2.271 10 30 CEEERN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C#CCCO)s1 ZINC000043678446 175089056 /nfs/dbraw/zinc/08/90/56/175089056.db2.gz RKZJTCNTGKVXGB-ZIAGYGMSSA-N 0 0 293.432 2.481 10 30 CEEERN CN(Cc1cscn1)Cc1sccc1C#CCO ZINC000043682143 175091149 /nfs/dbraw/zinc/09/11/49/175091149.db2.gz LJVNXLVXZKXUQD-UHFFFAOYSA-N 0 0 278.402 2.180 10 30 CEEERN CC(C)C(=O)N(C)Cc1ccccc1C#CCCO ZINC000044389557 175170545 /nfs/dbraw/zinc/17/05/45/175170545.db2.gz KHQMAFWRHVTFNI-UHFFFAOYSA-N 0 0 259.349 2.035 10 30 CEEERN CCC[C@@H](NS(=O)(=O)CC#N)c1cccs1 ZINC000044509991 175187605 /nfs/dbraw/zinc/18/76/05/175187605.db2.gz KOHGUFUQQUUKDS-SECBINFHSA-N 0 0 258.368 2.032 10 30 CEEERN CC(=O)Nc1cccc(NC(=O)[C@H](C#N)C(C)C)c1 ZINC000044812873 175258008 /nfs/dbraw/zinc/25/80/08/175258008.db2.gz KWQILTWMWSPBHQ-CYBMUJFWSA-N 0 0 259.309 2.379 10 30 CEEERN CCC[C@@H](C#N)C(=O)N(CCOC)[C@@H](C)C1CC1 ZINC000044826879 175260169 /nfs/dbraw/zinc/26/01/69/175260169.db2.gz AUZPQKVOFBYIRY-AAEUAGOBSA-N 0 0 252.358 2.200 10 30 CEEERN CC(C)N[C@](C)(C#N)CN1CCc2ccccc2C1 ZINC000045175517 175323641 /nfs/dbraw/zinc/32/36/41/175323641.db2.gz GBHVMDZOPMDHKX-MRXNPFEDSA-N 0 0 257.381 2.325 10 30 CEEERN CCN[C@](C)(C#N)CN(CCOC)C(CC)CC ZINC000045177818 175324231 /nfs/dbraw/zinc/32/42/31/175324231.db2.gz WXWGOONZVFFXDM-CQSZACIVSA-N 0 0 255.406 2.015 10 30 CEEERN CCN[C@@](C)(C#N)CCN(CC(F)(F)F)C1CC1 ZINC000045181729 175324654 /nfs/dbraw/zinc/32/46/54/175324654.db2.gz OUUYCFFLOOMHQZ-LLVKDONJSA-N 0 0 263.307 2.295 10 30 CEEERN CCN[C@@](C#N)(CN(C)CC1CC1)c1ccccc1 ZINC000045181481 175325016 /nfs/dbraw/zinc/32/50/16/175325016.db2.gz KRSRMJXWRPKZBV-INIZCTEOSA-N 0 0 257.381 2.357 10 30 CEEERN CC(C)N[C@](C)(C#N)CCN(C)CC(F)(F)F ZINC000045181437 175325086 /nfs/dbraw/zinc/32/50/86/175325086.db2.gz REWGIBBEVOYQSB-JTQLQIEISA-N 0 0 251.296 2.151 10 30 CEEERN COc1ccc([N+](=O)[O-])cc1OC[C@@](C)(C#N)NC(C)C ZINC000045214593 175329139 /nfs/dbraw/zinc/32/91/39/175329139.db2.gz XICXMJXADYFWPI-CQSZACIVSA-N 0 0 293.323 2.262 10 30 CEEERN CCN[C@](C)(C#N)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000045214422 175329308 /nfs/dbraw/zinc/32/93/08/175329308.db2.gz CRSDZJWZACZBLW-CYBMUJFWSA-N 0 0 263.297 2.174 10 30 CEEERN CCN[C@@](C)(C#N)CCOc1cccc(N(C)C)c1 ZINC000045215168 175329523 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344967988 /nfs/dbraw/zinc/96/79/88/344967988.db2.gz IZKOAQBFBQQTIN-CRLSOHKGSA-N 0 0 282.343 2.166 10 30 CEEERN C[NH2+]CC/N=C/c1cc(Cl)cc(Br)c1[O-] ZINC000584624755 344968315 /nfs/dbraw/zinc/96/83/15/344968315.db2.gz NXGOZOFBTVYPJM-MKMNVTDBSA-N 0 0 291.576 2.446 10 30 CEEERN CN(Cc1cnc(N)c(C#N)n1)c1ccc(Cl)cc1 ZINC000584628681 344968821 /nfs/dbraw/zinc/96/88/21/344968821.db2.gz RTGMDSWZRQARRG-UHFFFAOYSA-N 0 0 273.727 2.051 10 30 CEEERN CCC[S@@](=O)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000084262096 178834051 /nfs/dbraw/zinc/83/40/51/178834051.db2.gz MBUVMYWJGRCVIU-YPMLDQLKSA-N 0 0 264.350 2.044 10 30 CEEERN N#Cc1cncnc1N1CCC(c2nccs2)CC1 ZINC000591903875 345295294 /nfs/dbraw/zinc/29/52/94/345295294.db2.gz YGLGUTBTMPHOMH-UHFFFAOYSA-N 0 0 271.349 2.189 10 30 CEEERN CC(C)(C#N)N1CCN(c2ccncc2Cl)CC1 ZINC000094272407 535000413 /nfs/dbraw/zinc/00/04/13/535000413.db2.gz WUPAJOHZEXAERG-UHFFFAOYSA-N 0 0 264.760 2.159 10 30 CEEERN C=C[C@@](O)(c1ccccc1)C(F)(F)C(=O)OCC ZINC000097209582 185565082 /nfs/dbraw/zinc/56/50/82/185565082.db2.gz BRVDLRYCBOVGLN-GFCCVEGCSA-N 0 0 256.248 2.259 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2cccnc2n1 ZINC000597339310 346173385 /nfs/dbraw/zinc/17/33/85/346173385.db2.gz MVCRVKRBNRLHRS-VXGBXAGGSA-N 0 0 266.304 2.052 10 30 CEEERN COCc1csc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000597339749 346173409 /nfs/dbraw/zinc/17/34/09/346173409.db2.gz NITGTMBVRABBPA-GHMZBOCLSA-N 0 0 264.350 2.317 10 30 CEEERN C=C(C)C[C@H](NN)c1cc(OC)c(OC)c(OC)c1 ZINC000097755628 185661550 /nfs/dbraw/zinc/66/15/50/185661550.db2.gz YPQXDJUDENAUQB-NSHDSACASA-N 0 0 266.341 2.183 10 30 CEEERN CC#CCC[C@H](NN)c1cnn(-c2ccccc2)c1 ZINC000097782714 185667635 /nfs/dbraw/zinc/66/76/35/185667635.db2.gz VNVQTOOKYWPBHM-HNNXBMFYSA-N 0 0 254.337 2.180 10 30 CEEERN CCC[C@@H](C#N)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109465555 136555697 /nfs/dbraw/zinc/55/56/97/136555697.db2.gz OOFXPMKPDYJEPX-ZDUSSCGKSA-N 0 0 288.351 2.409 10 30 CEEERN C=CCN1C(=O)C2(CCCC2)NC(=O)[C@@H]1c1ccccc1 ZINC000085756707 179149798 /nfs/dbraw/zinc/14/97/98/179149798.db2.gz SWYQBYNGCMDAFB-AWEZNQCLSA-N 0 0 284.359 2.185 10 30 CEEERN C=CCN1C(=O)[C@@H](c2ccccc2)NC(=O)[C@]1(C)C1CC1 ZINC000085759433 179152128 /nfs/dbraw/zinc/15/21/28/179152128.db2.gz QLZXJCOHQSDKHL-PBHICJAKSA-N 0 0 284.359 2.041 10 30 CEEERN C=CCN1C(=O)[C@@](C)(c2ccccc2)NC(=O)[C@]1(C)CC ZINC000085776780 179160268 /nfs/dbraw/zinc/16/02/68/179160268.db2.gz XYKUIWILXPYLLM-DLBZAZTESA-N 0 0 286.375 2.215 10 30 CEEERN C[C@@H](C#N)[C@H](O)c1cc2c(c(Br)c1)OCO2 ZINC000085884171 179196211 /nfs/dbraw/zinc/19/62/11/179196211.db2.gz IZLSHJYGAAZKOE-WKEGUHRASA-N 0 0 284.109 2.371 10 30 CEEERN N#Cc1cc2c(nc1N[C@H]1CCC[C@@H](O)C1)CCC2 ZINC000603865499 347393166 /nfs/dbraw/zinc/39/31/66/347393166.db2.gz KAFRWDFJZUJXTL-QWHCGFSZSA-N 0 0 257.337 2.157 10 30 CEEERN Cc1nn(-c2cc(Cl)ccc2F)c(N)c1C#N ZINC000604941618 347435900 /nfs/dbraw/zinc/43/59/00/347435900.db2.gz ZZFDFGZVZZAJRV-UHFFFAOYSA-N 0 0 250.664 2.427 10 30 CEEERN C#CC(C)(C)N1C(=O)[C@H](C2CCCCC2)NC(=O)[C@@H]1CC ZINC000086419127 179289808 /nfs/dbraw/zinc/28/98/08/179289808.db2.gz YRHDYIANEDYXMS-KBPBESRZSA-N 0 0 290.407 2.084 10 30 CEEERN COCCN[C@H](C#N)c1ccc(OC)c(Cl)c1 ZINC000086595460 179310736 /nfs/dbraw/zinc/31/07/36/179310736.db2.gz YOKHNQFVYCXYLD-LLVKDONJSA-N 0 0 254.717 2.149 10 30 CEEERN CCN[C@@]1(C#N)CC[C@@H](n2cc(Br)cn2)C1 ZINC000086623180 179311560 /nfs/dbraw/zinc/31/15/60/179311560.db2.gz JICLQOKECBRLNJ-MNOVXSKESA-N 0 0 283.173 2.242 10 30 CEEERN COc1ccc([C@H](C#N)NC[C@H]2CCCO2)cc1F ZINC000086992542 179375079 /nfs/dbraw/zinc/37/50/79/179375079.db2.gz KGLNFEKTXJSJOV-YPMHNXCESA-N 0 0 264.300 2.168 10 30 CEEERN N#C[C@@H]1CCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086996787 179377480 /nfs/dbraw/zinc/37/74/80/179377480.db2.gz ZNRWVMSPRFHFAX-QMMMGPOBSA-N 0 0 254.211 2.232 10 30 CEEERN CC(C)(C#N)CCCn1cnc2ccc(N)cc2c1=O ZINC000087598648 179452755 /nfs/dbraw/zinc/45/27/55/179452755.db2.gz LEJLPQGPAPUZAF-UHFFFAOYSA-N 0 0 270.336 2.309 10 30 CEEERN CS(=O)(=O)N1CCCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616630493 348540612 /nfs/dbraw/zinc/54/06/12/348540612.db2.gz YTJXWBZZVZZTAV-AWEZNQCLSA-N 0 0 278.377 2.087 10 30 CEEERN N#CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000616581736 348526210 /nfs/dbraw/zinc/52/62/10/348526210.db2.gz BRNHGGTYRLBVTN-UHFFFAOYSA-N 0 0 285.694 2.241 10 30 CEEERN N#Cc1ccc(NC(=O)c2cc(N)n[nH]2)cc1C(F)(F)F ZINC000088191090 179561977 /nfs/dbraw/zinc/56/19/77/179561977.db2.gz ILGSDCWYQLMEGM-UHFFFAOYSA-N 0 0 295.224 2.135 10 30 CEEERN C[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C(N)=O ZINC000088191493 179562168 /nfs/dbraw/zinc/56/21/68/179562168.db2.gz GHPIDWPQFAJMSP-ZETCQYMHSA-N 0 0 271.242 2.110 10 30 CEEERN O=C(NCC(C1CC1)C1CC1)c1ccc(C#CCO)cc1 ZINC000088463130 179608448 /nfs/dbraw/zinc/60/84/48/179608448.db2.gz GFJYMKRRIXFZOY-UHFFFAOYSA-N 0 0 283.371 2.196 10 30 CEEERN Cc1nn(C)c(Oc2ccc3c(c2)OCO3)c1C#N ZINC000104317932 185966374 /nfs/dbraw/zinc/96/63/74/185966374.db2.gz HQTWCFBNMKUBLX-UHFFFAOYSA-N 0 0 257.249 2.121 10 30 CEEERN N#Cc1ccc(NC[C@@H]2CCCC[C@@H]2CO)c(N)c1 ZINC000089523816 179809294 /nfs/dbraw/zinc/80/92/94/179809294.db2.gz XUWQHPFKCPRNDE-QWHCGFSZSA-N 0 0 259.353 2.351 10 30 CEEERN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C=O)cc1C ZINC000104419934 185995352 /nfs/dbraw/zinc/99/53/52/185995352.db2.gz UOXYQWYARSRKFU-CYBMUJFWSA-N 0 0 281.377 2.046 10 30 CEEERN COc1ccc(N[C@H](C#N)CC(OC)OC)cc1 ZINC000090625484 180015762 /nfs/dbraw/zinc/01/57/62/180015762.db2.gz AALCPSYMLGPWBN-NSHDSACASA-N 0 0 250.298 2.008 10 30 CEEERN CC(C)(C)C(=O)NCC#CCOc1ccccc1F ZINC000090726973 180033011 /nfs/dbraw/zinc/03/30/11/180033011.db2.gz ZDTDFYYWXXSGGI-UHFFFAOYSA-N 0 0 263.312 2.370 10 30 CEEERN COC(=O)c1nc(C)cc(NCc2ccc(C#N)cc2)n1 ZINC000090737287 180034198 /nfs/dbraw/zinc/03/41/98/180034198.db2.gz WGLQMBYPWBQJQB-UHFFFAOYSA-N 0 0 282.303 2.055 10 30 CEEERN Cc1ccc(OCC#CCNC(=O)C2CCCCC2)cn1 ZINC000090742453 180035968 /nfs/dbraw/zinc/03/59/68/180035968.db2.gz LSZGKPYFNRUSEW-UHFFFAOYSA-N 0 0 286.375 2.469 10 30 CEEERN N#Cc1cc(N)ccc1Oc1ncncc1Br ZINC000090781476 180038943 /nfs/dbraw/zinc/03/89/43/180038943.db2.gz AOEDHUXGXMCKIL-UHFFFAOYSA-N 0 0 291.108 2.485 10 30 CEEERN N#C[C@H]1CCCN(C[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893143 180054712 /nfs/dbraw/zinc/05/47/12/180054712.db2.gz APDAXWRLIAILOI-BXUZGUMPSA-N 0 0 260.312 2.365 10 30 CEEERN COc1cccc(N[C@@H](C#N)CC(=O)N2CCCCC2)c1 ZINC000091325765 180135107 /nfs/dbraw/zinc/13/51/07/180135107.db2.gz HVJBHYAYBWPNQP-CQSZACIVSA-N 0 0 287.363 2.402 10 30 CEEERN C[C@H]1CC[C@]1(C#N)S(=O)(=O)c1ccccc1F ZINC000091328141 180135607 /nfs/dbraw/zinc/13/56/07/180135607.db2.gz DMAVLLKNKINHQC-JOYOIKCWSA-N 0 0 253.298 2.292 10 30 CEEERN CCn1cc(C[C@@](C#N)(C(C)=O)c2ccccc2)cn1 ZINC000091327421 180135962 /nfs/dbraw/zinc/13/59/62/180135962.db2.gz ZSOBMSCXNMHTEA-MRXNPFEDSA-N 0 0 267.332 2.496 10 30 CEEERN COC(=O)[C@]1(C)O[C@@]1(C)c1ccc2c(c1)OCCCO2 ZINC000091353448 180138426 /nfs/dbraw/zinc/13/84/26/180138426.db2.gz ZJCHEALFXQYHEJ-GJZGRUSLSA-N 0 0 278.304 2.025 10 30 CEEERN CC(C)CN(C(=O)c1ccncc1C#CCCO)C(C)C ZINC000091458793 180160752 /nfs/dbraw/zinc/16/07/52/180160752.db2.gz NCCZIULGUQAZEF-UHFFFAOYSA-N 0 0 288.391 2.322 10 30 CEEERN CCN(C(=O)c1ccncc1C#CCO)C1CCCCC1 ZINC000091457555 180161133 /nfs/dbraw/zinc/16/11/33/180161133.db2.gz ZJLTUAQNTLZYKO-UHFFFAOYSA-N 0 0 286.375 2.220 10 30 CEEERN CCOC(=O)[C@H](CC)N1CCC(C#N)(SC)CC1 ZINC000091470759 180164855 /nfs/dbraw/zinc/16/48/55/180164855.db2.gz FRGOUKVEOUFQHK-NSHDSACASA-N 0 0 270.398 2.049 10 30 CEEERN CSC1(C#N)CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000091474889 180165591 /nfs/dbraw/zinc/16/55/91/180165591.db2.gz YJHVHAAGHVFTEW-LBPRGKRZSA-N 0 0 282.409 2.193 10 30 CEEERN CCOC(=O)C(F)(F)Oc1ccc(C#N)cc1[N+](=O)[O-] ZINC000091406645 180147726 /nfs/dbraw/zinc/14/77/26/180147726.db2.gz XOPZUYFYJRWGNZ-UHFFFAOYSA-N 0 0 286.190 2.001 10 30 CEEERN N#Cc1cccc(CN2Cc3ccc(N)cc3C2=O)c1 ZINC000091409685 180148267 /nfs/dbraw/zinc/14/82/67/180148267.db2.gz VCRDXRMZSNMMKH-UHFFFAOYSA-N 0 0 263.300 2.296 10 30 CEEERN COC(=O)c1cncc(Nc2cccc(F)c2C#N)n1 ZINC000091419466 180150608 /nfs/dbraw/zinc/15/06/08/180150608.db2.gz GOVLXPRKFMTDNH-UHFFFAOYSA-N 0 0 272.239 2.018 10 30 CEEERN CCn1nc(C)c(N)c1N(C)Cc1cccc(C#N)c1 ZINC000091558243 180190900 /nfs/dbraw/zinc/19/09/00/180190900.db2.gz XXLJVUDKOLMRQU-UHFFFAOYSA-N 0 0 269.352 2.302 10 30 CEEERN CC(C)(C)c1ccc(OCCN2CCNC[C@@H]2C#N)cc1 ZINC000091748949 180245990 /nfs/dbraw/zinc/24/59/90/180245990.db2.gz VKGNUMJNBFKAFX-HNNXBMFYSA-N 0 0 287.407 2.160 10 30 CEEERN N#C[C@@H]1CNCCN1Cc1cc(Cl)ccc1Cl ZINC000091749304 180246177 /nfs/dbraw/zinc/24/61/77/180246177.db2.gz NMNAQZRQCMNCTN-LLVKDONJSA-N 0 0 270.163 2.291 10 30 CEEERN N#C[C@@H]1CNCCN1CCOc1ccc2ccccc2c1 ZINC000091749298 180246341 /nfs/dbraw/zinc/24/63/41/180246341.db2.gz ZFYSTRAETIIFCP-MRXNPFEDSA-N 0 0 281.359 2.016 10 30 CEEERN COc1ccc(Cn2ccc([C@@H](C)O)c2)cc1C#N ZINC000091799617 180258325 /nfs/dbraw/zinc/25/83/25/180258325.db2.gz RKOTTZOAQSLIPU-LLVKDONJSA-N 0 0 256.305 2.470 10 30 CEEERN N#C[C@]1([C@H](O)c2ccncc2)CCOc2ccccc21 ZINC000091880496 180279277 /nfs/dbraw/zinc/27/92/77/180279277.db2.gz PCRQWPXVZZPZDD-HZPDHXFCSA-N 0 0 266.300 2.359 10 30 CEEERN N#C[C@]1([C@@H](O)[C@@H]2CCOC2)CCc2ccccc2C1 ZINC000091883189 180279388 /nfs/dbraw/zinc/27/93/88/180279388.db2.gz XCCHKQJBZPBJEW-PMPSAXMXSA-N 0 0 257.333 2.083 10 30 CEEERN CCCOc1ccc([C@H](O)[C@]2(C#N)CCOC2)cc1 ZINC000091879446 180279526 /nfs/dbraw/zinc/27/95/26/180279526.db2.gz BGWCXRJPQKYWFY-GJZGRUSLSA-N 0 0 261.321 2.439 10 30 CEEERN COc1ccc([C@@H](O)C(C)(C)C#N)c(OC)c1OC ZINC000091881858 180279595 /nfs/dbraw/zinc/27/95/95/180279595.db2.gz YIWWKMTVUXILJV-CYBMUJFWSA-N 0 0 265.309 2.296 10 30 CEEERN Cc1ccc(NC(=O)N2CCCCC2)c(C#CCO)c1 ZINC000091969625 180295069 /nfs/dbraw/zinc/29/50/69/180295069.db2.gz IFRFEPQJCYVVMQ-UHFFFAOYSA-N 0 0 272.348 2.357 10 30 CEEERN C=CC[NH2+]CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000105676609 186068057 /nfs/dbraw/zinc/06/80/57/186068057.db2.gz LAVLZKWVVHIXAP-JTQLQIEISA-N 0 0 252.745 2.293 10 30 CEEERN CC1CCN(C(=O)NCc2ccc(C#CCO)s2)CC1 ZINC000091992376 180300586 /nfs/dbraw/zinc/30/05/86/180300586.db2.gz FRSLYNHREYEXIW-UHFFFAOYSA-N 0 0 292.404 2.033 10 30 CEEERN Cc1ccc(OCC#Cc2ccccc2)c(CO)n1 ZINC000091998640 180303712 /nfs/dbraw/zinc/30/37/12/180303712.db2.gz IPPZNBAHOKVSTO-UHFFFAOYSA-N 0 0 253.301 2.313 10 30 CEEERN C[C@H](O)CCC(=O)Nc1cc(Cl)ccc1C#N ZINC000092152126 180334673 /nfs/dbraw/zinc/33/46/73/180334673.db2.gz GPIXDSLAIYLPDA-QMMMGPOBSA-N 0 0 252.701 2.311 10 30 CEEERN C#CCNCc1nc(-c2cccc(Br)c2)no1 ZINC000105964807 186095328 /nfs/dbraw/zinc/09/53/28/186095328.db2.gz NFIJITBSJJZAGN-UHFFFAOYSA-N 0 0 292.136 2.222 10 30 CEEERN Cc1noc(C)c1[C@H](C)Nc1c(C#N)c(C)nn1C ZINC000092330858 180364553 /nfs/dbraw/zinc/36/45/53/180364553.db2.gz JYBQMOPKDQSLCJ-QMMMGPOBSA-N 0 0 259.313 2.378 10 30 CEEERN CC[C@H](C)N1C(=O)C[C@@H](Nc2cc(C#N)ccc2C)C1=O ZINC000106595327 186128132 /nfs/dbraw/zinc/12/81/32/186128132.db2.gz UDIICNTZCHKPKQ-SMDDNHRTSA-N 0 0 285.347 2.205 10 30 CEEERN C=CCn1cnc(-c2ccc3c(c2)OCCO3)c1N ZINC000106832217 186138253 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365071280 /nfs/dbraw/zinc/07/12/80/365071280.db2.gz YVNHXRSGUUZCAF-ZYHUDNBSSA-N 0 0 282.340 2.105 10 30 CEEERN C=C(C)CNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000161143589 367060603 /nfs/dbraw/zinc/06/06/03/367060603.db2.gz GYZKPTUXQNMWQP-OAHLLOKOSA-N 0 0 288.391 2.442 10 30 CEEERN Cc1cnn(CCNc2ccc([N+](=O)[O-])c(C#N)c2)c1 ZINC000161963453 367126119 /nfs/dbraw/zinc/12/61/19/367126119.db2.gz MANGKWZYRCFBFI-UHFFFAOYSA-N 0 0 271.280 2.084 10 30 CEEERN Cc1c([N+](=O)[O-])c(C#N)nn1Cc1ccc(F)cc1 ZINC000584619487 367173810 /nfs/dbraw/zinc/17/38/10/367173810.db2.gz QSUOLDYMTGOOHA-UHFFFAOYSA-N 0 0 260.228 2.159 10 30 CEEERN N#Cc1cc(-c2c[nH]c3nccc(N4CCOCC4)c23)c[nH]1 ZINC000584619515 367174088 /nfs/dbraw/zinc/17/40/88/367174088.db2.gz BVULIGBVRQAKOR-UHFFFAOYSA-N 0 0 293.330 2.266 10 30 CEEERN N#CCCCCNC(=O)N[C@H]1COc2ccccc21 ZINC000170880695 367439533 /nfs/dbraw/zinc/43/95/33/367439533.db2.gz FALHGOXHZAGYPM-LBPRGKRZSA-N 0 0 259.309 2.113 10 30 CEEERN COC[C@@H]1C[C@H](OC)CN1c1cc(C#N)c2ccccc2n1 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ZINC000575389355 395664045 /nfs/dbraw/zinc/66/40/45/395664045.db2.gz BHCSDWNMBQOXRA-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN CC[C@](C)(CCO)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000228610679 153366134 /nfs/dbraw/zinc/36/61/34/153366134.db2.gz JCJOLNSFIWRFKY-CYBMUJFWSA-N 0 0 263.297 2.429 10 30 CEEERN Cc1cc(C)c2ncc(C#N)c(NCCn3ccnn3)c2c1 ZINC000302190378 154185134 /nfs/dbraw/zinc/18/51/34/154185134.db2.gz QSTHKUFFQBXJLS-UHFFFAOYSA-N 0 0 292.346 2.427 10 30 CEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000181296875 165335404 /nfs/dbraw/zinc/33/54/04/165335404.db2.gz XVLIKCQMFPSJQC-CQSZACIVSA-N 0 0 297.362 2.214 10 30 CEEERN N#Cc1ccc(Cn2ncc(=O)c3ccccc32)cc1 ZINC000007248042 170273558 /nfs/dbraw/zinc/27/35/58/170273558.db2.gz DWVYRVOFVGINLU-UHFFFAOYSA-N 0 0 261.284 2.316 10 30 CEEERN CCCCN1C[C@H](C(=O)Nc2ccccc2C#N)CC1=O ZINC000008270461 170327789 /nfs/dbraw/zinc/32/77/89/170327789.db2.gz GMVMQTFEWFPDKP-CYBMUJFWSA-N 0 0 285.347 2.145 10 30 CEEERN C=CCNC(=S)NC(=O)/C=C/c1ccc(F)cc1 ZINC000008554545 170340257 /nfs/dbraw/zinc/34/02/57/170340257.db2.gz AXXVYRZTHPFSPN-VMPITWQZSA-N 0 0 264.325 2.016 10 30 CEEERN COc1cc(OC)c(NC(=O)CS)cc1Cl ZINC000008701511 170347033 /nfs/dbraw/zinc/34/70/33/170347033.db2.gz QSPUXEUKLJRYJP-UHFFFAOYSA-N 0 0 261.730 2.226 10 30 CEEERN COc1ccc(N2C[C@H](C#N)CC2=O)cc1Cl ZINC000011894290 170456269 /nfs/dbraw/zinc/45/62/69/170456269.db2.gz GEQPNMMFQSJVBR-QMMMGPOBSA-N 0 0 250.685 2.225 10 30 CEEERN CCSc1nc2n(n1)CC1=C(CC(C)(C)CC1=O)N2 ZINC000017007967 170720368 /nfs/dbraw/zinc/72/03/68/170720368.db2.gz DXYGAZGFDICIFQ-UHFFFAOYSA-N 0 0 278.381 2.459 10 30 CEEERN N/C(=N/O)c1ccccc1OCc1ccc(F)cc1 ZINC000019479287 170808855 /nfs/dbraw/zinc/80/88/55/170808855.db2.gz DEDLASRGJGKILK-UHFFFAOYSA-N 0 0 260.268 2.499 10 30 CEEERN C[C@@H](Nc1ccc(C#N)cc1)C(=O)NC1CCCC1 ZINC000020308102 171143526 /nfs/dbraw/zinc/14/35/26/171143526.db2.gz OLCZVJNQYPREQA-LLVKDONJSA-N 0 0 257.337 2.417 10 30 CEEERN C#CCNC(=O)[C@@H](C)Nc1cc(Cl)ccc1C ZINC000020367272 171165885 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/nfs/dbraw/zinc/08/96/71/173089671.db2.gz YHCWOJYVVCZDBI-UHFFFAOYSA-N 0 0 278.743 2.167 10 30 CEEERN N#CCCn1nc(-c2ccc(Br)o2)cc1N ZINC000037295034 173099571 /nfs/dbraw/zinc/09/95/71/173099571.db2.gz AVVAQIDYVMGFOY-UHFFFAOYSA-N 0 0 281.113 2.401 10 30 CEEERN CN(C)[C@@H](C#N)c1cc2c(c(Br)c1)OCO2 ZINC000037354690 173146775 /nfs/dbraw/zinc/14/67/75/173146775.db2.gz CLESUIRIEFDEGC-VIFPVBQESA-N 0 0 283.125 2.304 10 30 CEEERN O=C(Nc1ccc(C#CCO)cc1F)C1CCCC1 ZINC000037548859 173266297 /nfs/dbraw/zinc/26/62/97/173266297.db2.gz DAOSWQMHULZOCD-UHFFFAOYSA-N 0 0 261.296 2.298 10 30 CEEERN O=C(Cc1ccsc1)Nc1ncc(C#CCCO)s1 ZINC000037549646 173267255 /nfs/dbraw/zinc/26/72/55/173267255.db2.gz WOSDPQJALLWBBD-UHFFFAOYSA-N 0 0 292.385 2.120 10 30 CEEERN O=C(NC1CCCC1)c1ccc(C#CCCO)cc1 ZINC000037567013 173515028 /nfs/dbraw/zinc/51/50/28/173515028.db2.gz FNEYKENPDVSYIQ-UHFFFAOYSA-N 0 0 257.333 2.093 10 30 CEEERN CN1C(=O)c2ccc(NCCCCC#N)cc2C1=O ZINC000042305100 174679080 /nfs/dbraw/zinc/67/90/80/174679080.db2.gz IMFGBJJCIQPICM-UHFFFAOYSA-N 0 0 257.293 2.018 10 30 CEEERN CCN(CC/C(N)=N/O)c1ccc2ccccc2n1 ZINC000042453743 174745766 /nfs/dbraw/zinc/74/57/66/174745766.db2.gz UMQNTYKFWFUTPT-UHFFFAOYSA-N 0 0 258.325 2.198 10 30 CEEERN OCC#Cc1ccsc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000043682163 175091106 /nfs/dbraw/zinc/09/11/06/175091106.db2.gz WAGGZGIIAVHEIJ-GJZGRUSLSA-N 0 0 291.416 2.235 10 30 CEEERN OCCC#Cc1ccsc1COC[C@@H]1CCCO1 ZINC000043682731 175091265 /nfs/dbraw/zinc/09/12/65/175091265.db2.gz OHYMSMRUCMROFZ-ZDUSSCGKSA-N 0 0 266.362 2.178 10 30 CEEERN N#CC1(C(=O)N2CCC[C@H](CO)C2)CCCCCC1 ZINC000044765878 175248926 /nfs/dbraw/zinc/24/89/26/175248926.db2.gz RCTHIHCOFCLCGU-ZDUSSCGKSA-N 0 0 264.369 2.081 10 30 CEEERN C[C@H](Cn1ccnc1)NC(=O)C1(C#N)CCCCCC1 ZINC000044766598 175249408 /nfs/dbraw/zinc/24/94/08/175249408.db2.gz WAMMLQFTGFJJDO-CYBMUJFWSA-N 0 0 274.368 2.252 10 30 CEEERN COc1ccc(NC(=O)[C@H](C#N)C(C)C)cc1OC ZINC000044809679 175257511 /nfs/dbraw/zinc/25/75/11/175257511.db2.gz KHPBNGPKLRDOON-LLVKDONJSA-N 0 0 262.309 2.438 10 30 CEEERN CC[C@H](C#N)C(=O)Nc1ccc(Br)cn1 ZINC000044813862 175257935 /nfs/dbraw/zinc/25/79/35/175257935.db2.gz MYIADRUVZZFBQU-SSDOTTSWSA-N 0 0 268.114 2.332 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1CCC[C@@H](O)C1 ZINC000044824520 175259440 /nfs/dbraw/zinc/25/94/40/175259440.db2.gz DXHMHLKIEZYMLB-GFCCVEGCSA-N 0 0 252.358 2.080 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000044826384 175259936 /nfs/dbraw/zinc/25/99/36/175259936.db2.gz WZWKIOPOFIYZHC-STQMWFEESA-N 0 0 293.411 2.209 10 30 CEEERN CC1(NC(=O)C2(C#N)CCOCC2)CCCCC1 ZINC000045047039 175296524 /nfs/dbraw/zinc/29/65/24/175296524.db2.gz OEAXOLPQLMSFNI-UHFFFAOYSA-N 0 0 250.342 2.146 10 30 CEEERN N#Cc1ccc(NCCCCn2ccnc2)c(N)c1 ZINC000045105721 175307392 /nfs/dbraw/zinc/30/73/92/175307392.db2.gz UVMUWCWNHNNDMV-UHFFFAOYSA-N 0 0 255.325 2.229 10 30 CEEERN CC(C)N[C@@](C)(C#N)CN1CCc2ccccc2C1 ZINC000045175519 175323300 /nfs/dbraw/zinc/32/33/00/175323300.db2.gz GBHVMDZOPMDHKX-INIZCTEOSA-N 0 0 257.381 2.325 10 30 CEEERN Cc1nn(C[C@](N)(C#N)c2ccccc2)c(C)c1C ZINC000045207097 175328372 /nfs/dbraw/zinc/32/83/72/175328372.db2.gz DXFXGWYEANHNSN-OAHLLOKOSA-N 0 0 254.337 2.186 10 30 CEEERN CCN[C@@](C#N)(Cn1ccnc1CC)c1ccccc1 ZINC000045207222 175328726 /nfs/dbraw/zinc/32/87/26/175328726.db2.gz WVNQVIRIINSNMK-INIZCTEOSA-N 0 0 268.364 2.474 10 30 CEEERN CN[C@](C)(C#N)COc1cccc2c1OC(C)(C)C2 ZINC000045210638 175328949 /nfs/dbraw/zinc/32/89/49/175328949.db2.gz VHICZDZNHFXJIN-OAHLLOKOSA-N 0 0 260.337 2.281 10 30 CEEERN CCN[C@@](C)(C#N)COc1ccc(CCOC)cc1 ZINC000045213006 175329173 /nfs/dbraw/zinc/32/91/73/175329173.db2.gz KZWBMVQLJCMFLB-HNNXBMFYSA-N 0 0 262.353 2.146 10 30 CEEERN CC(C)N[C@](C#N)(COC[C@@H]1CCOC1)c1ccccc1 ZINC000045215438 175329610 /nfs/dbraw/zinc/32/96/10/175329610.db2.gz ZLEBORLIUIJNDB-NVXWUHKLSA-N 0 0 288.391 2.457 10 30 CEEERN CCCN[C@](C#N)(CSCCO)c1ccccc1 ZINC000045216631 175329703 /nfs/dbraw/zinc/32/97/03/175329703.db2.gz XBMGEXRJRHERSN-CQSZACIVSA-N 0 0 264.394 2.131 10 30 CEEERN Cc1cnc(SC[C@](C)(C#N)NC(C)C)nc1 ZINC000045220946 175330233 /nfs/dbraw/zinc/33/02/33/175330233.db2.gz QFRWKBMHSKMZSA-LBPRGKRZSA-N 0 0 250.371 2.157 10 30 CEEERN CCCN[C@@H](C#N)COc1ccc(C)cc1[N+](=O)[O-] ZINC000045332010 175360085 /nfs/dbraw/zinc/36/00/85/175360085.db2.gz KRKCHLXAHYAWRS-NSHDSACASA-N 0 0 263.297 2.174 10 30 CEEERN Cc1ccc(OCCC[C@](C)(N)C#N)c([N+](=O)[O-])c1 ZINC000045332022 175360125 /nfs/dbraw/zinc/36/01/25/175360125.db2.gz UOHOSDOLNRGPHW-ZDUSSCGKSA-N 0 0 263.297 2.303 10 30 CEEERN Cc1cccc(OC[C@H](C#N)NC(C)C)c1[N+](=O)[O-] ZINC000045331546 175360388 /nfs/dbraw/zinc/36/03/88/175360388.db2.gz QMQOMOCKNNADIG-NSHDSACASA-N 0 0 263.297 2.172 10 30 CEEERN CC(C)N[C@](C)(C#N)CCCOC[C@@H]1CCOC1 ZINC000045332108 175360413 /nfs/dbraw/zinc/36/04/13/175360413.db2.gz MGUZDOSXUQEURU-KBPBESRZSA-N 0 0 254.374 2.100 10 30 CEEERN N#C[C@H](CSc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000045332806 175360688 /nfs/dbraw/zinc/36/06/88/175360688.db2.gz FKSKRLRMTRJXRA-SNVBAGLBSA-N 0 0 263.322 2.331 10 30 CEEERN OCC#Cc1cncc(OCc2cc(F)ccc2F)c1 ZINC000070487316 175954667 /nfs/dbraw/zinc/95/46/67/175954667.db2.gz OTXDCORMQFPUJR-UHFFFAOYSA-N 0 0 275.254 2.283 10 30 CEEERN CO[C@@H]1[C@H](O)CC[C@]2(CO2)[C@@H]1[C@]1(C)O[C@@H]1CC=C(C)C ZINC000070718830 176003269 /nfs/dbraw/zinc/00/32/69/176003269.db2.gz CEVCTNCUIVEQOY-FWXGHANASA-N 0 0 282.380 2.055 10 30 CEEERN COC(=O)C#CCc1ccc(Br)cc1 ZINC000070835457 176008440 /nfs/dbraw/zinc/00/84/40/176008440.db2.gz CBCPVBYXPUNECE-UHFFFAOYSA-N 0 0 253.095 2.168 10 30 CEEERN C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#CCO)ccc1F ZINC000071210885 176082818 /nfs/dbraw/zinc/08/28/18/176082818.db2.gz UCOXMXTYJSCUQC-ABAIWWIYSA-N 0 0 275.323 2.088 10 30 CEEERN C[C@H]1CCC[C@@H]1NC(=O)c1cccc(C#CCCO)c1 ZINC000071210922 176083012 /nfs/dbraw/zinc/08/30/12/176083012.db2.gz GXDGPZFGVLAIPK-BBRMVZONSA-N 0 0 271.360 2.339 10 30 CEEERN COCCN(CCC#N)C(=O)c1cc2cc(N)ccc2o1 ZINC000071221631 176087466 /nfs/dbraw/zinc/08/74/66/176087466.db2.gz KRYSGZGJUMBUIO-UHFFFAOYSA-N 0 0 287.319 2.017 10 30 CEEERN COCCN(CCC#N)CC(=O)c1ccc(C)cc1 ZINC000071226839 176089989 /nfs/dbraw/zinc/08/99/89/176089989.db2.gz NYTXZBDDCSGFCM-UHFFFAOYSA-N 0 0 260.337 2.040 10 30 CEEERN COCCN(CCC#N)[C@@H](C)C(=O)c1ccc(OC)cc1 ZINC000071227160 176090195 /nfs/dbraw/zinc/09/01/95/176090195.db2.gz WWLZSXNMMBYONT-ZDUSSCGKSA-N 0 0 290.363 2.128 10 30 CEEERN COCCN(CCC#N)c1ccc([N+](=O)[O-])cc1C ZINC000071231347 176091893 /nfs/dbraw/zinc/09/18/93/176091893.db2.gz SCGDKTVCAKZZFG-UHFFFAOYSA-N 0 0 263.297 2.270 10 30 CEEERN CCC[C@H]([NH2+]Cc1ccc(F)cc1C#N)C(=O)[O-] ZINC000071263837 176097036 /nfs/dbraw/zinc/09/70/36/176097036.db2.gz FWUWYPMBNRSPPV-LBPRGKRZSA-N 0 0 250.273 2.040 10 30 CEEERN C[C@H](Cc1cccs1)NC(=O)c1cccc(C#CCO)c1 ZINC000071273517 176105504 /nfs/dbraw/zinc/10/55/04/176105504.db2.gz IXHGHBCJOWYHCV-CYBMUJFWSA-N 0 0 299.395 2.453 10 30 CEEERN Cc1cc(C#CCO)ccc1N1CCCCCC1=O ZINC000071278283 176107791 /nfs/dbraw/zinc/10/77/91/176107791.db2.gz UGAPVOZDIZHCAW-UHFFFAOYSA-N 0 0 257.333 2.246 10 30 CEEERN Cc1ccc(C(=O)NCc2cc(C#CCO)cs2)s1 ZINC000071321792 176122429 /nfs/dbraw/zinc/12/24/29/176122429.db2.gz JPRLOXGVCIGUGT-UHFFFAOYSA-N 0 0 291.397 2.392 10 30 CEEERN COC(=O)[C@@H]1CCCN1c1nc2ccccc2cc1C#N ZINC000071386285 176147533 /nfs/dbraw/zinc/14/75/33/176147533.db2.gz NTGBFFLEXKNCGV-AWEZNQCLSA-N 0 0 281.315 2.248 10 30 CEEERN Cc1ccncc1NC(=O)c1ccc(C#CCCO)s1 ZINC000071414768 176160041 /nfs/dbraw/zinc/16/00/41/176160041.db2.gz ZAKKSAZVCDRDDR-UHFFFAOYSA-N 0 0 286.356 2.438 10 30 CEEERN C=CCN(CCC(=O)OCC)C(=O)c1cccs1 ZINC000071606422 176230313 /nfs/dbraw/zinc/23/03/13/176230313.db2.gz WEPUJAATQXMHNT-UHFFFAOYSA-N 0 0 267.350 2.330 10 30 CEEERN C=CCN(CCC(=O)OC)C(=O)c1cccc(C)c1 ZINC000071607399 176230759 /nfs/dbraw/zinc/23/07/59/176230759.db2.gz WVIBVKXQIUWCAB-UHFFFAOYSA-N 0 0 261.321 2.186 10 30 CEEERN N#CC1c2cccc(F)c2C(=O)N1Cc1ccncc1 ZINC000071678298 176242977 /nfs/dbraw/zinc/24/29/77/176242977.db2.gz CMNGUVCCTJUNCF-CYBMUJFWSA-N 0 0 267.263 2.441 10 30 CEEERN COc1ccc2c(c1)C(C#N)N(Cc1nccs1)C2=O ZINC000071678523 176243769 /nfs/dbraw/zinc/24/37/69/176243769.db2.gz HKXLUTOZTMTCAX-GFCCVEGCSA-N 0 0 285.328 2.372 10 30 CEEERN CC(=O)NCCN1C(=O)c2ccc(C(C)(C)C)cc2[C@@H]1C#N ZINC000071680279 176245045 /nfs/dbraw/zinc/24/50/45/176245045.db2.gz FBRPZCKJFOQJOP-HNNXBMFYSA-N 0 0 299.374 2.141 10 30 CEEERN COC(=O)[C@@H]1C(=O)C=C(Cl)C[C@H]1c1ccco1 ZINC000072416001 176399456 /nfs/dbraw/zinc/39/94/56/176399456.db2.gz QXYVMQPAOXPIBL-KWQFWETISA-N 0 0 254.669 2.248 10 30 CEEERN N#Cc1ccc(NC(=O)CNc2nccs2)cc1 ZINC000074714577 176603301 /nfs/dbraw/zinc/60/33/01/176603301.db2.gz INOPHDGFRXLVNY-UHFFFAOYSA-N 0 0 258.306 2.065 10 30 CEEERN CCC[C@@H]1C[C@@H]1NC(=O)COc1ccccc1C#N ZINC000075376713 176689832 /nfs/dbraw/zinc/68/98/32/176689832.db2.gz CFLXWTFQFWHMGB-YPMHNXCESA-N 0 0 258.321 2.242 10 30 CEEERN N#C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000079806340 177562279 /nfs/dbraw/zinc/56/22/79/177562279.db2.gz BQOAVTYWBJFKAG-SECBINFHSA-N 0 0 279.683 2.376 10 30 CEEERN N#C[C@@H]1CCCCN1C(=O)c1cccc(F)c1F ZINC000079809682 177563182 /nfs/dbraw/zinc/56/31/82/177563182.db2.gz KVCMMWWTOMMSEY-VIFPVBQESA-N 0 0 250.248 2.483 10 30 CEEERN N#C[C@H]1CCCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000079810036 177563188 /nfs/dbraw/zinc/56/31/88/177563188.db2.gz XWJWOEQDQHXVOT-SNVBAGLBSA-N 0 0 277.255 2.252 10 30 CEEERN C[C@]1(NC(=O)NCCC2CCOCC2)CCO[C@H]1C1CC1 ZINC000329760052 227939637 /nfs/dbraw/zinc/93/96/37/227939637.db2.gz PRCXFNGLEOAXRB-HOCLYGCPSA-N 0 0 296.411 2.264 10 30 CEEERN N#CC(Br)(Br)Br ZINC000014769492 260083312 /nfs/dbraw/zinc/08/33/12/260083312.db2.gz WDNIHYDTZZOFLR-UHFFFAOYSA-N 0 0 277.741 2.348 10 30 in-vitro CEEERN N#CCCCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121547297 260711539 /nfs/dbraw/zinc/71/15/39/260711539.db2.gz BMIWKNZROZTFNY-RISCZKNCSA-N 0 0 266.291 2.376 10 30 CEEERN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105860279 261317535 /nfs/dbraw/zinc/31/75/35/261317535.db2.gz KWVWDHSUFFWIRQ-LSDHHAIUSA-N 0 0 291.395 2.336 10 30 CEEERN CC(C)[C@@H](O)CC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000183102915 261963393 /nfs/dbraw/zinc/96/33/93/261963393.db2.gz JSQQORQHSABUPC-YPMHNXCESA-N 0 0 276.336 2.323 10 30 CEEERN C#CCCCCC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000120099851 263281821 /nfs/dbraw/zinc/28/18/21/263281821.db2.gz MFTNWMWYGRUPHN-AWEZNQCLSA-N 0 0 289.379 2.353 10 30 CEEERN Cc1nnc(NCCc2ccc(N)cc2)c(C#N)c1C ZINC000125486370 267671203 /nfs/dbraw/zinc/67/12/03/267671203.db2.gz OXKFGCJNJNLBOT-UHFFFAOYSA-N 0 0 267.336 2.202 10 30 CEEERN C=CC[C@@]1(C(=O)OC)C[C@@H](C(=O)OC)CC(F)(F)C1 ZINC000095093235 277884662 /nfs/dbraw/zinc/88/46/62/277884662.db2.gz DOBNRGPEAWRONZ-BXKDBHETSA-N 0 0 276.279 2.330 10 30 CEEERN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\N=C1\NC(=O)CS1)C2 ZINC000012694984 278430331 /nfs/dbraw/zinc/43/03/31/278430331.db2.gz SIEAACZXISTASO-MAJAAMFUSA-N 0 0 265.382 2.408 10 30 CEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C#N)cc1C ZINC000128816872 279136784 /nfs/dbraw/zinc/13/67/84/279136784.db2.gz LYNQDRJPSXYBRA-CQSZACIVSA-N 0 0 295.346 2.032 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000329339341 280390797 /nfs/dbraw/zinc/39/07/97/280390797.db2.gz NPMPZPWGDXHDOU-YNEHKIRRSA-N 0 0 282.384 2.015 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000329276903 280391052 /nfs/dbraw/zinc/39/10/52/280391052.db2.gz KNRPHPYIEJOUPA-OUCADQQQSA-N 0 0 296.411 2.403 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CCn2ccnc2C1 ZINC000329382392 280391636 /nfs/dbraw/zinc/39/16/36/280391636.db2.gz OKSHSVKDMZNXIH-OUCADQQQSA-N 0 0 277.368 2.216 10 30 CEEERN N#CC1CCN(C(=O)[C@H]2C[C@]23CCOc2ccccc23)CC1 ZINC000329647272 294800053 /nfs/dbraw/zinc/80/00/53/294800053.db2.gz DVLJHOKCMNCWDW-QAPCUYQASA-N 0 0 296.370 2.489 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)o1 ZINC000061888943 294840390 /nfs/dbraw/zinc/84/03/90/294840390.db2.gz BFBXNXFGUUFEAD-HTQZYQBOSA-N 0 0 283.125 2.464 10 30 CEEERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329253113 297304619 /nfs/dbraw/zinc/30/46/19/297304619.db2.gz YXFVFTRMAAYEIY-MWGHHZFTSA-N 0 0 267.373 2.432 10 30 CEEERN C[C@H]1CC[C@H](CO)CN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000119352006 300068010 /nfs/dbraw/zinc/06/80/10/300068010.db2.gz FBFRXAILSLRODX-JQWIXIFHSA-N 0 0 275.308 2.064 10 30 CEEERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@]1(C)CCCNC1=O ZINC000330322536 302672691 /nfs/dbraw/zinc/67/26/91/302672691.db2.gz SOFVUAVOHFYHFU-IINYFYTJSA-N 0 0 291.355 2.135 10 30 CEEERN Cc1cc(Br)c2ccnc(C(N)=NO)c2c1 ZINC000521400889 328674208 /nfs/dbraw/zinc/67/42/08/328674208.db2.gz FQLPSPHZGPHYSJ-UHFFFAOYSA-N 0 0 280.125 2.400 10 30 CEEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000248520824 329891321 /nfs/dbraw/zinc/89/13/21/329891321.db2.gz RECPYZLRKZCESI-WOPDTQHZSA-N 0 0 281.302 2.122 10 30 CEEERN Cc1cc(F)cc(N2CCC[C@@H](C(=O)CC#N)C2=O)c1 ZINC000536951718 330382492 /nfs/dbraw/zinc/38/24/92/330382492.db2.gz ZKMUNWHJFXZORK-ZDUSSCGKSA-N 0 0 274.295 2.360 10 30 CEEERN C=CCn1c(C)nnc1SCc1nnc(C2CC2)n1C ZINC000130498371 333844895 /nfs/dbraw/zinc/84/48/95/333844895.db2.gz CFLHDMPTWFXGQS-UHFFFAOYSA-N 0 0 290.396 2.071 10 30 CEEERN C[C@H](C#N)CNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000247483345 334282472 /nfs/dbraw/zinc/28/24/72/334282472.db2.gz FWZWSSCCJHZTFL-MIMYLULJSA-N 0 0 264.275 2.344 10 30 CEEERN CCCN[C@@](C#N)(CO[C@H](C)COC)c1ccccc1 ZINC000070208757 520030784 /nfs/dbraw/zinc/03/07/84/520030784.db2.gz FVJRDVKVUFEYCK-ZBFHGGJFSA-N 0 0 276.380 2.457 10 30 CEEERN CCCN[C@](C#N)(CN1CCC[C@H](OCC)C1)C1CC1 ZINC000069081187 520099575 /nfs/dbraw/zinc/09/95/75/520099575.db2.gz CYXBZGDLKZKLGQ-JKSUJKDBSA-N 0 0 279.428 2.159 10 30 CEEERN CCCCC[C@H](C)NC(=O)c1ccc(C#CCO)cn1 ZINC000061862351 520307524 /nfs/dbraw/zinc/30/75/24/520307524.db2.gz DYMASIWESILLGH-ZDUSSCGKSA-N 0 0 274.364 2.124 10 30 CEEERN CCOC(=O)CSc1cc(C)nc(C)c1C#N ZINC000156537814 520809953 /nfs/dbraw/zinc/80/99/53/520809953.db2.gz IGKNKCFQTFQZJC-UHFFFAOYSA-N 0 0 250.323 2.225 10 30 CEEERN CCCN(CC(=O)N(C)C)[C@@H](CC#N)c1ccccc1 ZINC000055020517 521531331 /nfs/dbraw/zinc/53/13/31/521531331.db2.gz AGZODOPDPWWKBH-HNNXBMFYSA-N 0 0 273.380 2.442 10 30 CEEERN CN[C@](C)(C#N)COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050471692 522510965 /nfs/dbraw/zinc/51/09/65/522510965.db2.gz XOSYZAHEKWIDHO-LLVKDONJSA-N 0 0 269.688 2.129 10 30 CEEERN C[C@H]1COCCN1C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000329995489 534025261 /nfs/dbraw/zinc/02/52/61/534025261.db2.gz NGQOSGMWBPRXMH-XGNXJENSSA-N 0 0 294.395 2.159 10 30 CEEERN C#CCN[C@](C)(C(=O)OC)c1ccc(OC(C)C)cc1 ZINC000051964476 518293482 /nfs/dbraw/zinc/29/34/82/518293482.db2.gz FXTDQNZXQQQJKH-INIZCTEOSA-N 0 0 275.348 2.085 10 30 CEEERN C#Cc1cccc(NC(=O)Cc2cccc(N)c2)c1 ZINC000052922804 518363407 /nfs/dbraw/zinc/36/34/07/518363407.db2.gz YLPFXWMLLBJDLJ-UHFFFAOYSA-N 0 0 250.301 2.431 10 30 CEEERN CC(C)[N@H+](CCCC(=O)[O-])Cc1ccnc(C#N)c1 ZINC000068756755 519642283 /nfs/dbraw/zinc/64/22/83/519642283.db2.gz FMLYPQVNAUONNB-UHFFFAOYSA-N 0 0 261.325 2.028 10 30 CEEERN CC(C)N(CCCO)c1cccc(Cl)c1/C(N)=N/O ZINC000052905468 519644861 /nfs/dbraw/zinc/64/48/61/519644861.db2.gz KZAIJNAHQLJDSO-UHFFFAOYSA-N 0 0 285.775 2.032 10 30 CEEERN CC(C)N[C@@](C#N)(COc1ccc(CO)cc1)C1CC1 ZINC000069088593 519735634 /nfs/dbraw/zinc/73/56/34/519735634.db2.gz YISPVJIESFAVOA-INIZCTEOSA-N 0 0 274.364 2.228 10 30 CEEERN CC(C)N[C@@](C#N)(COCCOC(C)C)C1CC1 ZINC000069086332 519735798 /nfs/dbraw/zinc/73/57/98/519735798.db2.gz PXQXLMIZQITGRV-AWEZNQCLSA-N 0 0 254.374 2.098 10 30 CEEERN CC(C)[C@@H](C(=O)N[C@@H](C)C1CCCCC1)/C(N)=N/O ZINC000052344526 519789449 /nfs/dbraw/zinc/78/94/49/519789449.db2.gz UJBMFXIPYMPNEV-CMPLNLGQSA-N 0 0 269.389 2.090 10 30 CEEERN CC(C)c1[nH]nc(C(=O)N(C)c2cccc(C#N)c2)c1N ZINC000061957698 519830469 /nfs/dbraw/zinc/83/04/69/519830469.db2.gz NQIVZNYMPXHLQQ-UHFFFAOYSA-N 0 0 283.335 2.264 10 30 CEEERN CCN[C@@H](C#N)CCOc1ccc([N+](=O)[O-])cc1F ZINC000062449187 520057756 /nfs/dbraw/zinc/05/77/56/520057756.db2.gz JHPIEJJPZLAJIB-SECBINFHSA-N 0 0 267.260 2.004 10 30 CEEERN CCCN[C@H](C#N)CCOc1ccc2c(c1)OCO2 ZINC000062444023 520062334 /nfs/dbraw/zinc/06/23/34/520062334.db2.gz PTMQXVGDPNEZOJ-NSHDSACASA-N 0 0 262.309 2.076 10 30 CEEERN CCNc1cccc(C(=O)N(CC)C[C@H](C)C#N)n1 ZINC000051072144 520332173 /nfs/dbraw/zinc/33/21/73/520332173.db2.gz VYWAIWPSWKOOOV-LLVKDONJSA-N 0 0 260.341 2.135 10 30 CEEERN CCCCOC(=O)CN(CCC#N)Cc1cccnc1 ZINC000049800104 520705648 /nfs/dbraw/zinc/70/56/48/520705648.db2.gz USSCPLKFAOAKIM-UHFFFAOYSA-N 0 0 275.352 2.141 10 30 CEEERN CCCCOCCOC[C@](C#N)(NCCC)C1CC1 ZINC000069085518 520790841 /nfs/dbraw/zinc/79/08/41/520790841.db2.gz BCJVNLWQYLQHLU-HNNXBMFYSA-N 0 0 268.401 2.492 10 30 CEEERN CCN(CCC#N)C(=O)c1cc(Cl)ccc1NN ZINC000051117253 520977913 /nfs/dbraw/zinc/97/79/13/520977913.db2.gz CGODITAMKVYGMM-UHFFFAOYSA-N 0 0 266.732 2.001 10 30 CEEERN CCOc1cccc(OC[C@](C#N)(NC)C2CC2)c1 ZINC000069089142 521402003 /nfs/dbraw/zinc/40/20/03/521402003.db2.gz AKRAWRMQGKNPJQ-HNNXBMFYSA-N 0 0 260.337 2.356 10 30 CEEERN CC[C@@H](C)C(=O)N(C)Cc1cccc(C#CCO)c1 ZINC000049588748 521902033 /nfs/dbraw/zinc/90/20/33/521902033.db2.gz IWPIQSXVTREQLM-CYBMUJFWSA-N 0 0 259.349 2.035 10 30 CEEERN COCCn1cc(Nc2ccc(C#N)cc2F)cn1 ZINC000049546260 522112770 /nfs/dbraw/zinc/11/27/70/522112770.db2.gz HSDZFMKTIJVNCV-UHFFFAOYSA-N 0 0 260.272 2.284 10 30 CEEERN CN[C@@](C)(C#N)C[C@@H](C)Oc1ccc(C#N)cc1[N+](=O)[O-] ZINC000068623170 522407001 /nfs/dbraw/zinc/40/70/01/522407001.db2.gz IFSGBVVMTZZWGZ-QMTHXVAHSA-N 0 0 288.307 2.126 10 30 CEEERN CCc1nc2ccccc2n1C[C@H](C#N)NC1CC1 ZINC000062807932 522503898 /nfs/dbraw/zinc/50/38/98/522503898.db2.gz NSNRENOFSPTPFR-LBPRGKRZSA-N 0 0 254.337 2.243 10 30 CEEERN COC[C@H](C)OCc1ccc(F)c(C#CCCO)c1 ZINC000070208502 522636073 /nfs/dbraw/zinc/63/60/73/522636073.db2.gz DUPSAEFLHWRVTK-LBPRGKRZSA-N 0 0 266.312 2.111 10 30 CEEERN CC[C@@H](NS(=O)(=O)Cc1ccccc1C#N)C(C)C ZINC000049147065 522901310 /nfs/dbraw/zinc/90/13/10/522901310.db2.gz CHCBZCZKUDLVNJ-CQSZACIVSA-N 0 0 280.393 2.412 10 30 CEEERN COCCCN(CCOC)c1cc(C)ccc1C#N ZINC000051598144 523258693 /nfs/dbraw/zinc/25/86/93/523258693.db2.gz IGASXIGUKHMSKI-UHFFFAOYSA-N 0 0 262.353 2.356 10 30 CEEERN CN(Cc1ccoc1)Cc1ccc(C#CCO)cc1F ZINC000049614330 523476439 /nfs/dbraw/zinc/47/64/39/523476439.db2.gz CWEKEIGDMDWROP-UHFFFAOYSA-N 0 0 273.307 2.395 10 30 CEEERN CC[C@@H]1CO[C@@H](C)CN1C[C@](C#N)(NC(C)C)C1CC1 ZINC000069080418 523509059 /nfs/dbraw/zinc/50/90/59/523509059.db2.gz WWCVFYXYERVFHM-IMJJTQAJSA-N 0 0 279.428 2.156 10 30 CEEERN COc1ccc(C#CCO)cc1COCc1ccco1 ZINC000049619958 523519014 /nfs/dbraw/zinc/51/90/14/523519014.db2.gz NSBPSRRHSAQNGB-UHFFFAOYSA-N 0 0 272.300 2.349 10 30 CEEERN CN(C(=O)[C@H](C#N)c1ccccc1)c1ccccn1 ZINC000061614265 523905510 /nfs/dbraw/zinc/90/55/10/523905510.db2.gz DPKBKCZVFATONP-CYBMUJFWSA-N 0 0 251.289 2.352 10 30 CEEERN CC[C@H](C)NC(=O)CCNc1cc(C)nc(C)c1C#N ZINC000156570231 523969931 /nfs/dbraw/zinc/96/99/31/523969931.db2.gz ZGUAIJSZZZTHKN-JTQLQIEISA-N 0 0 274.368 2.287 10 30 CEEERN CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(CC#N)cc1 ZINC000052684636 523994529 /nfs/dbraw/zinc/99/45/29/523994529.db2.gz FMOZVMFSJYZSIP-RYUDHWBXSA-N 0 0 259.353 2.468 10 30 CEEERN COc1ccc(CNCc2cccnc2C#N)cc1 ZINC000061656954 524073306 /nfs/dbraw/zinc/07/33/06/524073306.db2.gz FBWPRTPRWGQSSO-UHFFFAOYSA-N 0 0 253.305 2.252 10 30 CEEERN COc1ccc(CSc2ncccn2)cc1C#CCO ZINC000049623112 524127933 /nfs/dbraw/zinc/12/79/33/524127933.db2.gz WLSGHLZYXAYLHE-UHFFFAOYSA-N 0 0 286.356 2.121 10 30 CEEERN Cc1cccc(C(=O)NCc2ccc(C#CCO)cc2)c1 ZINC000049587899 524198499 /nfs/dbraw/zinc/19/84/99/524198499.db2.gz LOEUYDHZVAQIJK-UHFFFAOYSA-N 0 0 279.339 2.269 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2ccc(C#CCO)c(F)c2)[C@H]1C ZINC000050568501 524209227 /nfs/dbraw/zinc/20/92/27/524209227.db2.gz SMKKKQRJTDSGJF-OLZOCXBDSA-N 0 0 289.350 2.430 10 30 CEEERN Cc1cc(C)c(C#N)c(Sc2ncnc3[nH]cnc32)n1 ZINC000051036418 524218944 /nfs/dbraw/zinc/21/89/44/524218944.db2.gz DQFJZTZODJPZEK-UHFFFAOYSA-N 0 0 282.332 2.388 10 30 CEEERN C[C@@H]1CCCN(C[C@@](N)(C#N)c2ccccc2)[C@@H]1C ZINC000050567078 524229480 /nfs/dbraw/zinc/22/94/80/524229480.db2.gz MHWQOJBDLQMYLH-FMKPAKJESA-N 0 0 257.381 2.485 10 30 CEEERN C[C@@H]1CC[C@H](C(N)=O)CN1c1cccc(Cl)c1C#N ZINC000052908899 524647124 /nfs/dbraw/zinc/64/71/24/524647124.db2.gz AEORSPRFKQTQRA-ZJUUUORDSA-N 0 0 277.755 2.302 10 30 CEEERN COc1ccccc1[C@H](C#N)C(=O)C1CCOCC1 ZINC000061672454 524766431 /nfs/dbraw/zinc/76/64/31/524766431.db2.gz WEMGWCKZONNFAQ-ZDUSSCGKSA-N 0 0 259.305 2.298 10 30 CEEERN C[C@H](NC(=O)C1CC1)c1ccc(C#CCCO)cc1 ZINC000049589457 524905429 /nfs/dbraw/zinc/90/54/29/524905429.db2.gz BXNKBOZGGCJZFF-LBPRGKRZSA-N 0 0 257.333 2.008 10 30 CEEERN COc1nc(Cl)nc(Nc2ccc(F)c(C#N)c2)n1 ZINC000061515183 524974453 /nfs/dbraw/zinc/97/44/53/524974453.db2.gz HJMSWGVXKZMLHH-UHFFFAOYSA-N 0 0 279.662 2.288 10 30 CEEERN Cc1ccc(OC2CCOCC2)c(C#CCCO)c1 ZINC000069310376 525376384 /nfs/dbraw/zinc/37/63/84/525376384.db2.gz UOGFQJLOSGEGEE-UHFFFAOYSA-N 0 0 260.333 2.287 10 30 CEEERN Cc1ccoc1C(=O)N[C@@H](C)c1cccc(C#CCO)c1 ZINC000049588949 525787699 /nfs/dbraw/zinc/78/76/99/525787699.db2.gz KOPGMDBFGYRBSC-ZDUSSCGKSA-N 0 0 283.327 2.423 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)COc1ccccc1N ZINC000050428721 525999574 /nfs/dbraw/zinc/99/95/74/525999574.db2.gz ZWYUTFNSFLKPOS-UHFFFAOYSA-N 0 0 281.315 2.466 10 30 CEEERN Cc1ccc(C(=O)[C@H](C)N(CC#N)CC#N)cc1C ZINC000049537491 526241010 /nfs/dbraw/zinc/24/10/10/526241010.db2.gz YJFQJIABPYLBNU-ZDUSSCGKSA-N 0 0 255.321 2.224 10 30 CEEERN C[C@H]1CCCN(C(=O)c2ccccc2C#CCO)[C@H]1C ZINC000050568431 526267383 /nfs/dbraw/zinc/26/73/83/526267383.db2.gz ULXYOWGCQGVVNT-KBPBESRZSA-N 0 0 271.360 2.291 10 30 CEEERN Cc1nn(C[C@@](C#N)(NC(C)C)C2CC2)c(C)c1C ZINC000069084401 526284696 /nfs/dbraw/zinc/28/46/96/526284696.db2.gz FTEIKVCKPHPELS-OAHLLOKOSA-N 0 0 260.385 2.479 10 30 CEEERN Cc1nn(C[C@@](C)(C#N)NC2CC2)c(C)c1Br ZINC000050594737 526285381 /nfs/dbraw/zinc/28/53/81/526285381.db2.gz DSZMICFRISMNIX-GFCCVEGCSA-N 0 0 297.200 2.297 10 30 CEEERN Cc1nnc(SCc2ccc(F)c(C#CCO)c2)o1 ZINC000051038646 526386498 /nfs/dbraw/zinc/38/64/98/526386498.db2.gz QILYDFXASXXDNL-UHFFFAOYSA-N 0 0 278.308 2.153 10 30 CEEERN N#CCCCCOC(=O)CCOc1cccc(N)c1 ZINC000049579308 526444621 /nfs/dbraw/zinc/44/46/21/526444621.db2.gz MSGKLBJSSBUOQM-UHFFFAOYSA-N 0 0 262.309 2.275 10 30 CEEERN O=C(NCCc1ccsc1)c1cccc(C#CCCO)c1 ZINC000049189124 526449550 /nfs/dbraw/zinc/44/95/50/526449550.db2.gz IWRBPCXVHUFITF-UHFFFAOYSA-N 0 0 299.395 2.455 10 30 CEEERN N#CCCN(C(=O)[C@@H](C#N)c1ccccc1)C1CC1 ZINC000061615165 526452199 /nfs/dbraw/zinc/45/21/99/526452199.db2.gz JRYAAKPHPIKLCY-AWEZNQCLSA-N 0 0 253.305 2.198 10 30 CEEERN N#CCN(CC#N)c1nc(Cl)nc2ccccc21 ZINC000052811415 526469981 /nfs/dbraw/zinc/46/99/81/526469981.db2.gz ZNOPCJUMRDFMBP-UHFFFAOYSA-N 0 0 257.684 2.137 10 30 CEEERN N#C[C@@H](CCOc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000062449245 526494589 /nfs/dbraw/zinc/49/45/89/526494589.db2.gz MHZMOCFJKVFTTM-LLVKDONJSA-N 0 0 261.281 2.008 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCCN2 ZINC000061890733 526502045 /nfs/dbraw/zinc/50/20/45/526502045.db2.gz ILPYIRXWWPEAIM-ZFWWWQNUSA-N 0 0 269.348 2.467 10 30 CEEERN N#C[C@](COc1ccc([N+](=O)[O-])cc1)(NC1CC1)C1CC1 ZINC000069088349 526515080 /nfs/dbraw/zinc/51/50/80/526515080.db2.gz PQVVINSKWWILAI-OAHLLOKOSA-N 0 0 287.319 2.398 10 30 CEEERN N#C[C@]1(Nc2ccc(Cl)cc2)CCCS(=O)(=O)C1 ZINC000069138885 526515582 /nfs/dbraw/zinc/51/55/82/526515582.db2.gz BHOWKSQZMOTIGW-GFCCVEGCSA-N 0 0 284.768 2.223 10 30 CEEERN Cc1nnc(Sc2ccc(/C(N)=N/O)cc2Cl)[nH]1 ZINC000062795017 526533571 /nfs/dbraw/zinc/53/35/71/526533571.db2.gz KNQPGTYCOCDFCC-UHFFFAOYSA-N 0 0 283.744 2.012 10 30 CEEERN N#Cc1cc(-n2ccnc2-c2ccc(N)cc2)ccn1 ZINC000061812837 526538022 /nfs/dbraw/zinc/53/80/22/526538022.db2.gz FPERPAVLRKADPY-UHFFFAOYSA-N 0 0 261.288 2.388 10 30 CEEERN N#Cc1cc(Cl)ccc1N1CCCC[C@H]1C(N)=O ZINC000052859706 526552591 /nfs/dbraw/zinc/55/25/91/526552591.db2.gz DPAQZKYBDMGQKQ-LBPRGKRZSA-N 0 0 263.728 2.056 10 30 CEEERN N#Cc1cc([N+](=O)[O-])cnc1Nc1cccc(N)c1 ZINC000050442225 526578862 /nfs/dbraw/zinc/57/88/62/526578862.db2.gz IODREJITBGSFRU-UHFFFAOYSA-N 0 0 255.237 2.187 10 30 CEEERN N#Cc1ccc(N(CC(N)=O)C2CCCC2)cc1Cl ZINC000061851113 526642187 /nfs/dbraw/zinc/64/21/87/526642187.db2.gz YUHMFXOGPCFORV-UHFFFAOYSA-N 0 0 277.755 2.446 10 30 CEEERN N#Cc1ccc(Nc2nc(Cl)nc(-n3ccnc3)n2)cc1 ZINC000061534882 526668049 /nfs/dbraw/zinc/66/80/49/526668049.db2.gz QHRGLHGJMGXHJH-UHFFFAOYSA-N 0 0 297.709 2.326 10 30 CEEERN N#Cc1cccc(CNc2ncnc(Cl)c2N)c1 ZINC000062364394 526710796 /nfs/dbraw/zinc/71/07/96/526710796.db2.gz NMRRCOMGLLDVEF-UHFFFAOYSA-N 0 0 259.700 2.196 10 30 CEEERN N#Cc1ccccc1NC(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000068233476 526741864 /nfs/dbraw/zinc/74/18/64/526741864.db2.gz UGCHDVIAOVOFHS-UHFFFAOYSA-N 0 0 297.358 2.145 10 30 CEEERN O=C(NCc1ccccc1C#CCO)c1ccc(F)cc1 ZINC000049587992 526742648 /nfs/dbraw/zinc/74/26/48/526742648.db2.gz BUBCERVLNVWOOP-UHFFFAOYSA-N 0 0 283.302 2.100 10 30 CEEERN O=C1CCCCN1Cc1ccc(C#CCCO)cc1F ZINC000049619257 526972142 /nfs/dbraw/zinc/97/21/42/526972142.db2.gz QNKRKPJGIKEJPW-UHFFFAOYSA-N 0 0 275.323 2.072 10 30 CEEERN O=C(Nc1cc(C#CCO)ccc1Cl)c1ccncc1 ZINC000061691562 527102640 /nfs/dbraw/zinc/10/26/40/527102640.db2.gz FWLSSCSCLYTFAR-UHFFFAOYSA-N 0 0 286.718 2.331 10 30 CEEERN Cc1nc[nH]c1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000054796164 527216270 /nfs/dbraw/zinc/21/62/70/527216270.db2.gz ZUDXEZHHUWAVEU-UHFFFAOYSA-N 0 0 257.253 2.110 10 30 CEEERN Cn1cnnc1Sc1ccc(C#N)cc1Cl ZINC000062794137 527529610 /nfs/dbraw/zinc/52/96/10/527529610.db2.gz QRDZRSMIAKNAFK-UHFFFAOYSA-N 0 0 250.714 2.491 10 30 CEEERN Cn1nc(C(=O)Nc2ccc(C#N)cc2)c2c1CCC2 ZINC000049679933 527547993 /nfs/dbraw/zinc/54/79/93/527547993.db2.gz LIAHIGILLBMRDK-UHFFFAOYSA-N 0 0 266.304 2.033 10 30 CEEERN CC[C@@H](C#N)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000093396490 535390263 /nfs/dbraw/zinc/39/02/63/535390263.db2.gz MJGXJXIRADOBEP-LBPRGKRZSA-N 0 0 272.327 2.122 10 30 CEEERN C#CCCS(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000288223977 622884869 /nfs/dbraw/zinc/88/48/69/622884869.db2.gz FAJDTPALARBNEI-NSHDSACASA-N 0 0 284.406 2.023 10 30 CEEERN C#CCOCCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157953284 623765389 /nfs/dbraw/zinc/76/53/89/623765389.db2.gz TYCLNJFANOLENL-HNNXBMFYSA-N 0 0 275.323 2.359 10 30 CEEERN C#CCOCCC(=O)O[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000166643921 624746238 /nfs/dbraw/zinc/74/62/38/624746238.db2.gz IOZUFUDPNYYIPX-UONOGXRCSA-N 0 0 280.364 2.307 10 30 CEEERN Cc1ccc(N(C)C(C)C)c(C(=O)N[C@H](C)C#N)c1 ZINC000161994001 625030736 /nfs/dbraw/zinc/03/07/36/625030736.db2.gz OYYJFNHXDQXZRV-GFCCVEGCSA-N 0 0 259.353 2.482 10 30 CEEERN O=C(NC[C@@H]1CCC[C@@H]1O)c1coc(C2CCOCC2)n1 ZINC000328710906 627988297 /nfs/dbraw/zinc/98/82/97/627988297.db2.gz AYLMCGFJKAUBBQ-AAEUAGOBSA-N 0 0 294.351 2.034 10 30 CEEERN NC(/C=C\c1ccc(C(F)(F)F)cc1[N+](=O)[O-])=N/O ZINC000199475932 628723377 /nfs/dbraw/zinc/72/33/77/628723377.db2.gz ZRJVTMMHGMBAMM-RQOWECAXSA-N 0 0 275.186 2.373 10 30 CEEERN COC[C@@H](C)C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000171482392 639719549 /nfs/dbraw/zinc/71/95/49/639719549.db2.gz JBGOSIUDUFUBCB-NXEZZACHSA-N 0 0 258.277 2.287 10 30 CEEERN COC[C@H](C)C(=O)OC[C@@H](C#N)Cc1ccccc1 ZINC000175389285 641327091 /nfs/dbraw/zinc/32/70/91/641327091.db2.gz QHZKGPMGLULCSV-GXTWGEPZSA-N 0 0 261.321 2.195 10 30 CEEERN CCCCCCCCCCN1CCOC[C@H]1C(N)=O ZINC000179730153 641379077 /nfs/dbraw/zinc/37/90/77/641379077.db2.gz PMDFQYZOOFOIQB-AWEZNQCLSA-N 0 0 270.417 2.313 10 30 CEEERN C#CCCCNC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000180666573 641474288 /nfs/dbraw/zinc/47/42/88/641474288.db2.gz FRYLUYXJELYZCP-HNNXBMFYSA-N 0 0 287.407 2.220 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000130597393 652292390 /nfs/dbraw/zinc/29/23/90/652292390.db2.gz AWXGMEXXYXMKON-YPMHNXCESA-N 0 0 259.305 2.449 10 30 CEEERN N#Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCCO2)c1 ZINC000124748568 187151914 /nfs/dbraw/zinc/15/19/14/187151914.db2.gz AGIZCBBHYQNLGA-NSHDSACASA-N 0 0 261.281 2.447 10 30 CEEERN CN(C)c1ccc(NC(=NC(C)(C)C)NC#N)cc1 ZINC000033855210 361786061 /nfs/dbraw/zinc/78/60/61/361786061.db2.gz KMJKCCBUNDCOGC-UHFFFAOYSA-N 0 0 259.357 2.390 10 30 CEEERN C=CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)C(C)=O ZINC000096775023 185112021 /nfs/dbraw/zinc/11/20/21/185112021.db2.gz NMVPSBOEOCRDGK-UHFFFAOYSA-N 0 0 296.754 2.322 10 30 CEEERN C=CCN(C(C)=O)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000096775296 185112363 /nfs/dbraw/zinc/11/23/63/185112363.db2.gz MNHUTHGQIVNDMM-GFCCVEGCSA-N 0 0 290.363 2.447 10 30 CEEERN N#Cc1c(N)nc2n1CC[C@@H](Cc1ccccc1)C2 ZINC000725259073 539205653 /nfs/dbraw/zinc/20/56/53/539205653.db2.gz WHTXLHNLUOQIGS-LBPRGKRZSA-N 0 0 252.321 2.142 10 30 CEEERN CC[C@@]1(CO)CCCN(C(=O)NCCC2CCOCC2)C1 ZINC000330269193 529542269 /nfs/dbraw/zinc/54/22/69/529542269.db2.gz JCJBVBNNOGNNAL-MRXNPFEDSA-N 0 0 298.427 2.202 10 30 CEEERN N#Cc1cc(N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000014985469 343368335 /nfs/dbraw/zinc/36/83/35/343368335.db2.gz QCPSQZLGVLIOLL-UHFFFAOYSA-N 0 0 252.199 2.345 10 30 CEEERN CN(CC(=O)NC1CC1)c1nc(C2CC2)nc2c1CCC2 ZINC000329105645 529819341 /nfs/dbraw/zinc/81/93/41/529819341.db2.gz DXMHFVFDFLSIKB-UHFFFAOYSA-N 0 0 286.379 2.398 10 30 CEEERN C[C@H]1C[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000075513706 343854882 /nfs/dbraw/zinc/85/48/82/343854882.db2.gz WBZKRUBYTGJFOY-GWCFXTLKSA-N 0 0 260.362 2.316 10 30 CEEERN C=C(C)C(=O)OCCOCCOc1ccccc1 ZINC000081948039 344069117 /nfs/dbraw/zinc/06/91/17/344069117.db2.gz WTJTUKSVRGVSNZ-UHFFFAOYSA-N 0 0 250.294 2.201 10 30 CEEERN N#C[C@]1(c2ccccc2Br)C[C@@H]1CO ZINC000132789551 344365455 /nfs/dbraw/zinc/36/54/55/344365455.db2.gz BVKRTMLAZADEJD-LDYMZIIASA-N 0 0 252.111 2.223 10 30 CEEERN C#CC[C@H](NN)c1ccc(C)c(Br)c1 ZINC000126640440 344325677 /nfs/dbraw/zinc/32/56/77/344325677.db2.gz LJCXDURVRKMAEE-NSHDSACASA-N 0 0 253.143 2.285 10 30 CEEERN C=CCOC(=O)c1cccc(C(=O)OCC=C)c1[N+](=O)[O-] ZINC000145434360 344409053 /nfs/dbraw/zinc/40/90/53/344409053.db2.gz VEKWVCVCOJRRHM-UHFFFAOYSA-N 0 0 291.259 2.280 10 30 CEEERN CCC[C@@H](OS(C)(=O)=O)c1ccc(C(=O)OC)cc1 ZINC000145508933 344409112 /nfs/dbraw/zinc/40/91/12/344409112.db2.gz UWVKUVKBSOFAPC-GFCCVEGCSA-N 0 0 286.349 2.291 10 30 CEEERN C#CC(=O)c1csc(I)c1 ZINC000168769184 344481084 /nfs/dbraw/zinc/48/10/84/344481084.db2.gz MTFZSQGIQMQDGH-UHFFFAOYSA-N 0 0 262.071 2.169 10 30 CEEERN CN1C[C@](C)(O)C(=O)C=C1c1ccc(Br)cc1 ZINC000230458586 344572736 /nfs/dbraw/zinc/57/27/36/344572736.db2.gz MVIALCCOVDELCS-ZDUSSCGKSA-N 0 0 296.164 2.056 10 30 in-vitro CEEERN CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@H](CC#N)C1 ZINC000220321305 344538388 /nfs/dbraw/zinc/53/83/88/344538388.db2.gz KVDQQOXVFPEZLB-GFCCVEGCSA-N 0 0 287.319 2.107 10 30 CEEERN CSc1ccc(/C(N)=N/O)c(Br)c1 ZINC000228255056 344559444 /nfs/dbraw/zinc/55/94/44/344559444.db2.gz UUIHTOMPQLBXDJ-UHFFFAOYSA-N 0 0 261.144 2.266 10 30 CEEERN N/C(=N/O)Nc1ccc(Br)c(Cl)c1 ZINC000232185124 344576675 /nfs/dbraw/zinc/57/66/75/344576675.db2.gz MDELQCHNVRLLNW-UHFFFAOYSA-N 0 0 264.510 2.218 10 30 CEEERN C=C(Br)CNC(=O)c1cc(C)nc(Cl)n1 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/nfs/dbraw/zinc/66/32/66/540663266.db2.gz UDYVGKFVFUMWTK-GHMZBOCLSA-N 0 0 251.326 2.130 10 30 CEEERN CC(=O)COc1ccc(Br)cc1C#N ZINC000003163247 361266092 /nfs/dbraw/zinc/26/60/92/361266092.db2.gz PFQOYTSLWBRKJY-UHFFFAOYSA-N 0 0 254.083 2.289 10 30 CEEERN Cc1ccc(S(=O)(=O)OC[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2O)cc1 ZINC000004368210 361315208 /nfs/dbraw/zinc/31/52/08/361315208.db2.gz GMXQEGGWGFSJGM-DHMWGJHJSA-N 0 0 296.388 2.107 10 30 CEEERN Cc1nc2n(n1)CCC[C@H]2NCc1cccc(C#N)c1 ZINC000083476056 363775252 /nfs/dbraw/zinc/77/52/52/363775252.db2.gz HRRDGTZKJYSLSR-CQSZACIVSA-N 0 0 267.336 2.083 10 30 CEEERN CCn1nc(C)cc1NC(=O)c1ccc(C#N)cc1 ZINC000013656475 361436058 /nfs/dbraw/zinc/43/60/58/361436058.db2.gz CNTWBGPBQXBNTB-UHFFFAOYSA-N 0 0 254.293 2.335 10 30 CEEERN CCCCOc1ccc(O[C@H](C)C(=O)NO)cc1 ZINC000028106397 361666523 /nfs/dbraw/zinc/66/65/23/361666523.db2.gz PBEZWGMLOHXFDA-SNVBAGLBSA-N 0 0 253.298 2.138 10 30 in-vivo CEEERN N#Cc1nnc2ccccc2c1NC[C@@H]1CCC[C@@H]1O ZINC000089169573 363945879 /nfs/dbraw/zinc/94/58/79/363945879.db2.gz ASVHDHQKQKFZBI-HZMBPMFUSA-N 0 0 268.320 2.074 10 30 CEEERN C#CCOc1cc(Br)ccc1C(=O)OC ZINC000098113591 364533571 /nfs/dbraw/zinc/53/35/71/364533571.db2.gz DAJGSSWETBNTOP-UHFFFAOYSA-N 0 0 269.094 2.248 10 30 CEEERN C=C(Br)CN1CCC[C@@H](NC(=O)CCC)C1 ZINC000101733315 364572694 /nfs/dbraw/zinc/57/26/94/364572694.db2.gz FYJDRCUHVKDLQQ-LLVKDONJSA-N 0 0 289.217 2.276 10 30 CEEERN COc1ccc(/C(CNC(=O)OC(C)(C)C)=N\O)cc1 ZINC000103473018 364657970 /nfs/dbraw/zinc/65/79/70/364657970.db2.gz CMIMEDYNRDOONE-VBKFSLOCSA-N 0 0 280.324 2.398 10 30 CEEERN C[C@H]1C[C@H](O)CN(c2ccc(C#N)c(Cl)c2)C1 ZINC000335234562 364667050 /nfs/dbraw/zinc/66/70/50/364667050.db2.gz BNKWLNIYKTYAJM-CABZTGNLSA-N 0 0 250.729 2.419 10 30 CEEERN CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H](C)C#N)C2=O)cc1 ZINC000162006625 367130361 /nfs/dbraw/zinc/13/03/61/367130361.db2.gz PANVUJMHKCKENR-IUODEOHRSA-N 0 0 299.374 2.191 10 30 CEEERN CCOCCN1CCN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000245779993 370872502 /nfs/dbraw/zinc/87/25/02/370872502.db2.gz UBQWPYXYRHUGKR-CYBMUJFWSA-N 0 0 293.436 2.162 10 30 CEEERN C=CCCC(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173629662 367929651 /nfs/dbraw/zinc/92/96/51/367929651.db2.gz IHFMOYPOIXAHFS-LBPRGKRZSA-N 0 0 282.384 2.468 10 30 CEEERN C[C@H](NCc1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000173361565 367902572 /nfs/dbraw/zinc/90/25/72/367902572.db2.gz TXTWJIYKVCLQDG-LBPRGKRZSA-N 0 0 281.363 2.337 10 30 CEEERN C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000173782037 367943787 /nfs/dbraw/zinc/94/37/87/367943787.db2.gz XHCWFDCBWBLCBQ-GXSJLCMTSA-N 0 0 262.284 2.368 10 30 CEEERN COc1ccc([C@H](C)NC(=O)c2cc(C#N)c[nH]2)cc1OC ZINC000175243007 368117074 /nfs/dbraw/zinc/11/70/74/368117074.db2.gz YVDSMDVQWJGWDA-JTQLQIEISA-N 0 0 299.330 2.395 10 30 CEEERN CCC[C@]1(COC)CCCN1c1ccc(C#N)nn1 ZINC000302835596 284086031 /nfs/dbraw/zinc/08/60/31/284086031.db2.gz VQOWSWVCKQEXGK-CQSZACIVSA-N 0 0 260.341 2.134 10 30 CEEERN CCc1nnc(COc2ccc(C#N)c(Cl)c2)n1C ZINC000190253846 369609356 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395663818 /nfs/dbraw/zinc/66/38/18/395663818.db2.gz LNYWJCLVHTUIMN-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN CCOC(=O)Cc1c(CC)ccc([N+](=O)[O-])c1C#N ZINC000575388900 395663847 /nfs/dbraw/zinc/66/38/47/395663847.db2.gz JEAZLZRGKGZPMO-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(CC)cc1[N+](=O)[O-] ZINC000575388949 395663871 /nfs/dbraw/zinc/66/38/71/395663871.db2.gz MRNKGXNKRRMAIC-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1F ZINC000575390358 395664055 /nfs/dbraw/zinc/66/40/55/395664055.db2.gz DMOPYYDCXJIRKT-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(CC)c1 ZINC000575389099 395664068 /nfs/dbraw/zinc/66/40/68/395664068.db2.gz XNCMEEMIWMRLKD-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN COC(=O)c1c(C#N)c(C(F)F)ccc1[N+](=O)[O-] ZINC000575389494 395664086 /nfs/dbraw/zinc/66/40/86/395664086.db2.gz QRFWFPKSSPWHFO-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COC(=O)c1cc(F)c(C#N)c(OC(F)(F)F)c1 ZINC000575390388 395664207 /nfs/dbraw/zinc/66/42/07/395664207.db2.gz HSHYBENOXQPYQB-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN N#CCc1nc2ccccc2n1C(=O)c1ccccn1 ZINC000005588885 170116571 /nfs/dbraw/zinc/11/65/71/170116571.db2.gz WSVQJUWSRZZNEA-UHFFFAOYSA-N 0 0 262.272 2.186 10 30 CEEERN c1ccc2c(c1)[nH]c1nc(N=NCC3CC3)nnc21 ZINC000005777009 170139468 /nfs/dbraw/zinc/13/94/68/170139468.db2.gz JGENNDBMYBEWPV-VGOFMYFVSA-N 0 0 252.281 2.314 10 30 CEEERN N#Cc1cccc([S@@](=O)c2cccc(N)c2C#N)c1 ZINC000005933136 170157019 /nfs/dbraw/zinc/15/70/19/170157019.db2.gz KGCDEXMENPBJBL-IBGZPJMESA-N 0 0 267.313 2.179 10 30 CEEERN N#Cc1ccccc1[S@](=O)c1cccc(N)c1C#N ZINC000005933868 170157895 /nfs/dbraw/zinc/15/78/95/170157895.db2.gz SAAMTBNDGHUYAE-LJQANCHMSA-N 0 0 267.313 2.179 10 30 in-vivo CEEERN COc1ccc(CN=Nc2oc(C)nc2C#N)cc1 ZINC000006861409 170250723 /nfs/dbraw/zinc/25/07/23/170250723.db2.gz LBOMXPRIMLZLIM-OVCLIPMQSA-N 0 0 256.265 2.309 10 30 CEEERN C=CCNC(=S)N/N=C/c1c(C)[nH]c2ccccc21 ZINC000007858763 170305518 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/nfs/dbraw/zinc/60/13/95/227601395.db2.gz IITIUILJOZKZGQ-CYBMUJFWSA-N 0 0 275.352 2.467 10 30 CEEERN O=C(NCC1CCC1)N1CCC[C@@H]1Cn1ccnc1 ZINC000330252947 228081816 /nfs/dbraw/zinc/08/18/16/228081816.db2.gz OOYLBJCJOZEDGT-CYBMUJFWSA-N 0 0 262.357 2.062 10 30 CEEERN N#CCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000154006116 261086927 /nfs/dbraw/zinc/08/69/27/261086927.db2.gz KMIVDJZCDVMVAQ-JTQLQIEISA-N 0 0 256.227 2.190 10 30 CEEERN C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C1CC1 ZINC000171828276 261483837 /nfs/dbraw/zinc/48/38/37/261483837.db2.gz OGDUJNNPLINJSC-NSHDSACASA-N 0 0 258.321 2.046 10 30 CEEERN C#CCN(CC1CC1)c1ncc(Br)cn1 ZINC000148587664 262990065 /nfs/dbraw/zinc/99/00/65/262990065.db2.gz XLBOGGPPVHPXAF-UHFFFAOYSA-N 0 0 266.142 2.089 10 30 CEEERN C=CCN(CCO)c1nc(C)nc2scc(C)c21 ZINC000125715054 264026554 /nfs/dbraw/zinc/02/65/54/264026554.db2.gz FXTFMFRPPYSHQQ-UHFFFAOYSA-N 0 0 263.366 2.293 10 30 CEEERN NC(=NO)c1nccc2ccc(Br)cc21 ZINC000521401338 265440254 /nfs/dbraw/zinc/44/02/54/265440254.db2.gz NPKFFINRTHSLOD-UHFFFAOYSA-N 0 0 266.098 2.092 10 30 CEEERN N#Cc1c(F)cccc1N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398930755 267955520 /nfs/dbraw/zinc/95/55/20/267955520.db2.gz OMWMWWVQGUEEPB-TUAOUCFPSA-N 0 0 260.312 2.295 10 30 CEEERN CC1(C)C=CC2=C(O1)C(=O)C=C(Br)C2=O ZINC000041701567 276099191 /nfs/dbraw/zinc/09/91/91/276099191.db2.gz QDRFEGIAXBZLQN-UHFFFAOYSA-N 0 0 269.094 2.036 10 30 CEEERN CC(C)(C)OC(=O)N1CCc2nc(C#N)ccc2C1 ZINC000034584660 277194801 /nfs/dbraw/zinc/19/48/01/277194801.db2.gz FYOTYCXSXHSVHN-UHFFFAOYSA-N 0 0 259.309 2.246 10 30 CEEERN CO[C@H]1CN(c2cc(C)nc(C)c2C#N)CC[C@H]1C ZINC000299922082 277344065 /nfs/dbraw/zinc/34/40/65/277344065.db2.gz RKHTWBFSXSXZJO-BMIGLBTASA-N 0 0 259.353 2.431 10 30 CEEERN C[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000068938099 288255843 /nfs/dbraw/zinc/25/58/43/288255843.db2.gz FAYLXATVYMPNES-RKDXNWHRSA-N 0 0 252.264 2.450 10 30 CEEERN N#C[C@@H](CO)Cc1cc(F)ccc1Br ZINC000063064116 526494276 /nfs/dbraw/zinc/49/42/76/526494276.db2.gz 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CEEERN CO[C@H]1CCC[C@@H]1NC(=O)C1(C#N)CCCCC1 ZINC000050374267 523979713 /nfs/dbraw/zinc/97/97/13/523979713.db2.gz JLPPTIRPDJSBLG-RYUDHWBXSA-N 0 0 250.342 2.144 10 30 CEEERN CNC(=O)C1CCN([C@@H](CC#N)c2ccccc2)CC1 ZINC000055020400 524049723 /nfs/dbraw/zinc/04/97/23/524049723.db2.gz WIPLITDQPUAHFK-HNNXBMFYSA-N 0 0 271.364 2.099 10 30 CEEERN Cc1cc(C)c(OC[C@H](C#N)NC(C)C)c([N+](=O)[O-])c1 ZINC000050441995 524311021 /nfs/dbraw/zinc/31/10/21/524311021.db2.gz FRRPFZIMHYFYST-LBPRGKRZSA-N 0 0 277.324 2.481 10 30 CEEERN Cc1cc(C)c(OC[C@@](N)(C#N)C2CC2)c([N+](=O)[O-])c1 ZINC000069089074 524311892 /nfs/dbraw/zinc/31/18/92/524311892.db2.gz AFQUPFCEPRVJDW-AWEZNQCLSA-N 0 0 275.308 2.222 10 30 CEEERN C[C@@H]1CCC[C@@H](NC(=O)c2cncc(C#CCCO)c2)C1 ZINC000049628471 524314566 /nfs/dbraw/zinc/31/45/66/524314566.db2.gz OHMNQWLFPCTMKH-CZUORRHYSA-N 0 0 286.375 2.124 10 30 CEEERN C[C@@H]1CCC[C@H](C)N1C(=O)c1cncc(C#CCCO)c1 ZINC000049628357 524360471 /nfs/dbraw/zinc/36/04/71/524360471.db2.gz 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2.043 10 30 CEEERN Cc1ccc(C#N)c(N2CCC(c3cc[nH]n3)CC2)n1 ZINC000161015466 525992094 /nfs/dbraw/zinc/99/20/94/525992094.db2.gz YRIFCZFXVIXJKK-UHFFFAOYSA-N 0 0 267.336 2.369 10 30 CEEERN Cc1cnc(CNC(=O)C2(C#N)CCCCCC2)cn1 ZINC000061322622 526028668 /nfs/dbraw/zinc/02/86/68/526028668.db2.gz GRUFWLDRWKEYEO-UHFFFAOYSA-N 0 0 272.352 2.265 10 30 CEEERN Cc1ccc(C(=O)NCc2cccc(C#CCO)c2)s1 ZINC000049588198 526186319 /nfs/dbraw/zinc/18/63/19/526186319.db2.gz CMAIIWSEAMVYPY-UHFFFAOYSA-N 0 0 285.368 2.330 10 30 CEEERN Cc1nn(CC[C@H](C#N)NC2CC2)c(C)c1Br ZINC000062440920 526281596 /nfs/dbraw/zinc/28/15/96/526281596.db2.gz MBDMCXVLBFSRIJ-LLVKDONJSA-N 0 0 297.200 2.297 10 30 CEEERN N#CCCN(c1c(F)cc(CO)cc1F)C1CC1 ZINC000062722270 526458762 /nfs/dbraw/zinc/45/87/62/526458762.db2.gz ZLVFOFHYNUDOCG-UHFFFAOYSA-N 0 0 252.264 2.340 10 30 CEEERN N#CCOc1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000050963281 526474251 /nfs/dbraw/zinc/47/42/51/526474251.db2.gz KWVSQGQBWGXWGL-ZDUSSCGKSA-N 0 0 260.293 2.097 10 30 CEEERN N#CCOc1ccccc1NC(=O)[C@H]1CCCCO1 ZINC000050963290 526475907 /nfs/dbraw/zinc/47/59/07/526475907.db2.gz OCZDRWGWJUFFGZ-CYBMUJFWSA-N 0 0 260.293 2.097 10 30 CEEERN N#CCc1ccc(NC(=O)c2ccc(NN)cc2)cc1 ZINC000051605686 526484893 /nfs/dbraw/zinc/48/48/93/526484893.db2.gz CZHCGJHSUSAFHD-UHFFFAOYSA-N 0 0 266.304 2.291 10 30 CEEERN N#C[C@@H]1CCCCC[C@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595404 526499579 /nfs/dbraw/zinc/49/95/79/526499579.db2.gz SSSHNNKTSCRGOW-GXSJLCMTSA-N 0 0 278.381 2.471 10 30 CEEERN C=C(C)CN(C)c1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000302018126 526506391 /nfs/dbraw/zinc/50/63/91/526506391.db2.gz DAYRBORSYVWWJP-UHFFFAOYSA-N 0 0 264.281 2.394 10 30 CEEERN N#C[C@H]1CCCCC[C@H]1NCC(=O)NCc1ccccc1 ZINC000054825779 526511911 /nfs/dbraw/zinc/51/19/11/526511911.db2.gz MUWNNHCNDBVBJL-HZPDHXFCSA-N 0 0 285.391 2.365 10 30 CEEERN N#Cc1c(F)cccc1NC(=O)c1cccc(F)c1NN ZINC000054215830 526524564 /nfs/dbraw/zinc/52/45/64/526524564.db2.gz VJZCUNGROAOCSP-UHFFFAOYSA-N 0 0 288.257 2.374 10 30 CEEERN N#Cc1cc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)ccn1 ZINC000068756844 526547735 /nfs/dbraw/zinc/54/77/35/526547735.db2.gz CAQPMXSCGGUASX-LBPRGKRZSA-N 0 0 273.336 2.030 10 30 CEEERN N#Cc1cc(CN2CCc3c(N)cccc3C2)ccn1 ZINC000068757604 526549848 /nfs/dbraw/zinc/54/98/48/526549848.db2.gz BQAWPLCUKJDZEH-UHFFFAOYSA-N 0 0 264.332 2.094 10 30 CEEERN N#Cc1cc(CN2CCCc3c(N)cccc32)ccn1 ZINC000068757562 526550445 /nfs/dbraw/zinc/55/04/45/526550445.db2.gz KJSNXSMMSUAYOR-UHFFFAOYSA-N 0 0 264.332 2.488 10 30 CEEERN N#Cc1cc2ccccc2nc1N1CCC(=O)CC1 ZINC000062536336 526581137 /nfs/dbraw/zinc/58/11/37/526581137.db2.gz JXODLFIQGKDWPP-UHFFFAOYSA-N 0 0 251.289 2.276 10 30 CEEERN N#Cc1ccc(Sc2nc(N)cc(N)n2)c(Cl)c1 ZINC000062794201 526686557 /nfs/dbraw/zinc/68/65/57/526686557.db2.gz ZHFJQGFHFWZXAR-UHFFFAOYSA-N 0 0 277.740 2.317 10 30 CEEERN N#Cc1ccccc1Nc1nc(Cl)nc(-n2ccnc2)n1 ZINC000061534701 526743972 /nfs/dbraw/zinc/74/39/72/526743972.db2.gz HVYQXYYNUDITJK-UHFFFAOYSA-N 0 0 297.709 2.326 10 30 CEEERN N#Cc1ccccc1NC(=O)c1cnc(N)c(Cl)c1 ZINC000050698843 526744789 /nfs/dbraw/zinc/74/47/89/526744789.db2.gz LPMYFYQNJCFJRC-UHFFFAOYSA-N 0 0 272.695 2.441 10 30 CEEERN N#Cc1ccccc1Oc1nc(Cl)nc(-n2cccn2)n1 ZINC000061520782 526746731 /nfs/dbraw/zinc/74/67/31/526746731.db2.gz GGUYHOIRLYHOCT-UHFFFAOYSA-N 0 0 298.693 2.375 10 30 CEEERN N#Cc1ncccc1CN1CCCc2c(N)cccc21 ZINC000061659566 526790256 /nfs/dbraw/zinc/79/02/56/526790256.db2.gz GFAPPPLVVXXMBG-UHFFFAOYSA-N 0 0 264.332 2.488 10 30 CEEERN N#Cc1ncccc1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000061659210 526791527 /nfs/dbraw/zinc/79/15/27/526791527.db2.gz DDNLXZGZPWOPKP-UHFFFAOYSA-N 0 0 283.243 2.253 10 30 CEEERN N/C(=N/O)c1ccc(Cl)cc1-n1ccc(C2CC2)n1 ZINC000062789589 526801684 /nfs/dbraw/zinc/80/16/84/526801684.db2.gz POMXQMZUBCRWLQ-UHFFFAOYSA-N 0 0 276.727 2.498 10 30 CEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)c1cn[nH]c1 ZINC000062778279 527102702 /nfs/dbraw/zinc/10/27/02/527102702.db2.gz SHECROQEHNGBNQ-UHFFFAOYSA-N 0 0 289.722 2.049 10 30 CEEERN O=c1ccc2ccccc2n1Cc1sccc1C#CCO ZINC000070339971 527488931 /nfs/dbraw/zinc/48/89/31/527488931.db2.gz FGQITWKADUVSRC-UHFFFAOYSA-N 0 0 295.363 2.455 10 30 CEEERN OCC#Cc1cc(COCC2CCOCC2)ccc1F ZINC000052156068 527518525 /nfs/dbraw/zinc/51/85/25/527518525.db2.gz LGFKZNGVFAADJC-UHFFFAOYSA-N 0 0 278.323 2.113 10 30 CEEERN OCCC#Cc1ccc(Cn2cc(Cl)cn2)cc1 ZINC000049619490 527531401 /nfs/dbraw/zinc/53/14/01/527531401.db2.gz AIBIANXVMSJEJS-UHFFFAOYSA-N 0 0 260.724 2.319 10 30 CEEERN CC1CC(NC(=O)N2CCC[C@H](Cc3nccn3C)C2)C1 ZINC000330150875 528153152 /nfs/dbraw/zinc/15/31/52/528153152.db2.gz VYPHLEGZCWAPCS-ROKHWSDSSA-N 0 0 290.411 2.387 10 30 CEEERN CCN(C[C@H](C)C#N)S(=O)(=O)/C=C\c1ccccc1 ZINC000255337048 623662217 /nfs/dbraw/zinc/66/22/17/623662217.db2.gz BNRHKNGSQVLINM-ASCRHOAZSA-N 0 0 278.377 2.469 10 30 CEEERN C#CCOc1ccc(C(=O)O[C@@H](C)[C@H]2CCOC2)cc1 ZINC000079178377 630867672 /nfs/dbraw/zinc/86/76/72/630867672.db2.gz BWWGGWYRVITHAK-JSGCOSHPSA-N 0 0 274.316 2.280 10 30 CEEERN C=CCc1ccccc1OC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC000171363241 639716018 /nfs/dbraw/zinc/71/60/18/639716018.db2.gz DMARUXZNUXHPKM-VXGBXAGGSA-N 0 0 260.289 2.130 10 30 CEEERN Cc1cnc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000230643921 639776111 /nfs/dbraw/zinc/77/61/11/639776111.db2.gz CSXPWDNMQICSDV-BXUZGUMPSA-N 0 0 271.320 2.239 10 30 CEEERN CC[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000233941892 641346441 /nfs/dbraw/zinc/34/64/41/641346441.db2.gz HBRAWWBQFFLNQN-IHRRRGAJSA-N 0 0 264.369 2.390 10 30 CEEERN C#CCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000069200002 641508782 /nfs/dbraw/zinc/50/87/82/641508782.db2.gz LYGIBMGTXGPXNH-OCCSQVGLSA-N 0 0 273.332 2.008 10 30 CEEERN C[C@@H](CC#N)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000103496784 644747402 /nfs/dbraw/zinc/74/74/02/644747402.db2.gz SSIVQNDXFUPGDV-ZKQHCESOSA-N 0 0 264.350 2.221 10 30 CEEERN C=CCn1c(C)cc(C(=O)Cn2ccc([C@H](C)O)n2)c1C ZINC000128830888 651597730 /nfs/dbraw/zinc/59/77/30/651597730.db2.gz MIZMWLCKQQNCJV-ZDUSSCGKSA-N 0 0 287.363 2.424 10 30 CEEERN COc1ccc(C#N)cc1CN1CCC[C@@H](C(C)=O)C1 ZINC000130684236 652313861 /nfs/dbraw/zinc/31/38/61/652313861.db2.gz GFWKPEHPWRRORE-CQSZACIVSA-N 0 0 272.348 2.368 10 30 CEEERN Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(C#N)cc1 ZINC000082338772 177970017 /nfs/dbraw/zinc/97/00/17/177970017.db2.gz HYBAUGMBHSVCNC-UHFFFAOYSA-N 0 0 281.315 2.126 10 30 CEEERN CCOC(=C=O)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095630360 185016845 /nfs/dbraw/zinc/01/68/45/185016845.db2.gz VIWHONXEZYAXFD-NSHDSACASA-N 0 0 297.351 2.097 10 30 CEEERN N#Cc1cc(OC2CC2)cc(I)n1 ZINC000095736424 185023954 /nfs/dbraw/zinc/02/39/54/185023954.db2.gz KQLSWHWEPSQEDK-UHFFFAOYSA-N 0 0 286.072 2.099 10 30 CEEERN C#CCOc1c(C(N)=O)cc(N)c(Cl)c1CCCC ZINC000095935672 185033779 /nfs/dbraw/zinc/03/37/79/185033779.db2.gz QZLJAQVWRVIECY-UHFFFAOYSA-N 0 0 280.755 2.376 10 30 CEEERN Cc1nc(C)n(C[C@H]2CCCN(c3cccc(C#N)n3)C2)n1 ZINC000122890007 365632588 /nfs/dbraw/zinc/63/25/88/365632588.db2.gz BRJSLCGCSJHIIB-AWEZNQCLSA-N 0 0 296.378 2.078 10 30 CEEERN CCN[C@](C)(C#N)C[C@@H](C)Sc1nncs1 ZINC000082797130 178301576 /nfs/dbraw/zinc/30/15/76/178301576.db2.gz ICRUBDYFEUMAID-SCZZXKLOSA-N 0 0 256.400 2.301 10 30 CEEERN C=CCN(C(C)=O)[C@H](C)C(=O)Nc1ccccc1C ZINC000096775274 185111899 /nfs/dbraw/zinc/11/18/99/185111899.db2.gz GAGXVMXDRAKOKH-GFCCVEGCSA-N 0 0 260.337 2.357 10 30 CEEERN N#Cc1c(N)nc2n1CC[C@H](Cc1ccccc1)C2 ZINC000725259068 539205689 /nfs/dbraw/zinc/20/56/89/539205689.db2.gz WHTXLHNLUOQIGS-GFCCVEGCSA-N 0 0 252.321 2.142 10 30 CEEERN C[C@@H](Cc1ccsc1)N(C)c1cnc(C#N)cn1 ZINC000126278852 187229429 /nfs/dbraw/zinc/22/94/29/187229429.db2.gz HBNDCIUUJSVNJT-JTQLQIEISA-N 0 0 258.350 2.477 10 30 CEEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000042593246 362104890 /nfs/dbraw/zinc/10/48/90/362104890.db2.gz BZAIRZOTYXMTGU-CYBMUJFWSA-N 0 0 266.366 2.271 10 30 CEEERN c1ccc2c(OC[C@@H]3CO3)ccc(OC[C@H]3CO3)c2c1 ZINC000017257081 343372818 /nfs/dbraw/zinc/37/28/18/343372818.db2.gz RHYLFJIYMVTKQO-TXEJJXNPSA-N 0 0 272.300 2.395 10 30 CEEERN CCCCOc1cc(/C=C/C(=O)NO)ccc1OC ZINC000005298777 343354113 /nfs/dbraw/zinc/35/41/13/343354113.db2.gz DDMYBPQSJMNVFE-SOFGYWHQSA-N 0 0 265.309 2.393 10 30 CEEERN CCCCCCCOC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000059568468 343653446 /nfs/dbraw/zinc/65/34/46/343653446.db2.gz RXWSYACNTOMKJM-LBPRGKRZSA-N 0 0 291.413 2.118 10 30 CEEERN N#Cc1c(F)cccc1Nc1cnn(-c2ncccn2)c1 ZINC000077995986 343938971 /nfs/dbraw/zinc/93/89/71/343938971.db2.gz DBXLABVDAYVTSN-UHFFFAOYSA-N 0 0 280.266 2.417 10 30 CEEERN COc1ncc2c(C#N)c[nH]c2c1Br ZINC000095919805 344237322 /nfs/dbraw/zinc/23/73/22/344237322.db2.gz IFZWRBHDVHAVJM-UHFFFAOYSA-N 0 0 252.071 2.206 10 30 CEEERN C#CCC[C@H](O)c1cc(Br)ccc1N ZINC000132759838 344365389 /nfs/dbraw/zinc/36/53/89/344365389.db2.gz FSIMVWHEIUUEHT-NSHDSACASA-N 0 0 254.127 2.478 10 30 CEEERN C#CC[C@H](CC)Nc1ncncc1Br ZINC000133036577 344366301 /nfs/dbraw/zinc/36/63/01/344366301.db2.gz OVCAJLXGOXMDBR-QMMMGPOBSA-N 0 0 254.131 2.453 10 30 CEEERN CC(C)N[C@H](C#N)c1ccc(Br)cn1 ZINC000129873778 344347245 /nfs/dbraw/zinc/34/72/45/344347245.db2.gz FNKRUYMLCKMBLF-SNVBAGLBSA-N 0 0 254.131 2.407 10 30 CEEERN CC[C@H](C#N)[C@H](O)c1ccc(Br)cn1 ZINC000130177527 344350585 /nfs/dbraw/zinc/35/05/85/344350585.db2.gz OKUYVHSYPIKLAQ-XCBNKYQSSA-N 0 0 255.115 2.427 10 30 CEEERN CC(C)(C)OC(=O)N[C@H](CO)c1cccc(C#N)c1 ZINC000144684318 344408325 /nfs/dbraw/zinc/40/83/25/344408325.db2.gz YUDLSOIBBLRUMP-GFCCVEGCSA-N 0 0 262.309 2.116 10 30 CEEERN CC(=O)Nc1ccc2c(c1)C(=O)/C(=C/N(C)C)CS2 ZINC000166463434 344476525 /nfs/dbraw/zinc/47/65/25/344476525.db2.gz DWPPAZRYULEWRQ-JXMROGBWSA-N 0 0 276.361 2.379 10 30 CEEERN CO/N=C(\Br)c1ccc([N+](=O)[O-])cc1 ZINC000225366508 344545410 /nfs/dbraw/zinc/54/54/10/344545410.db2.gz HGUHLNKSLNPDIR-NTMALXAHSA-N 0 0 259.059 2.298 10 30 CEEERN C#C[C@@H](C)Oc1ncc(Br)cc1[N+](=O)[O-] ZINC000235236214 344590399 /nfs/dbraw/zinc/59/03/99/344590399.db2.gz RRALZRAHPCAQIB-ZCFIWIBFSA-N 0 0 271.070 2.153 10 30 CEEERN CCOC(=O)c1ccc(C#N)cc1Br ZINC000238261899 344606288 /nfs/dbraw/zinc/60/62/88/344606288.db2.gz UTKFDYJEXKNYLX-UHFFFAOYSA-N 0 0 254.083 2.497 10 30 CEEERN N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000250858336 344634461 /nfs/dbraw/zinc/63/44/61/344634461.db2.gz HVJKGWJTIKEKKM-CLLJXQQHSA-N 0 0 258.296 2.360 10 30 CEEERN COC(=O)[C@H](CC(C)C)N[C@H]1CCCC[C@H]1C#N ZINC000251460599 344636422 /nfs/dbraw/zinc/63/64/22/344636422.db2.gz YVGJDSNSGQBXFG-AVGNSLFASA-N 0 0 252.358 2.246 10 30 CEEERN Cc1cscc1CNC(=O)C#CBr ZINC000307671178 344724061 /nfs/dbraw/zinc/72/40/61/344724061.db2.gz WJXMFOYTOLWZQB-UHFFFAOYSA-N 0 0 258.140 2.029 10 30 CEEERN C[C@@H](NC(=O)C#CBr)c1ccccc1F ZINC000306669531 344716285 /nfs/dbraw/zinc/71/62/85/344716285.db2.gz LGODCVFGBMSQLO-MRVPVSSYSA-N 0 0 270.101 2.359 10 30 CEEERN Cc1ccncc1[NH+]=C([O-])N(C)C[C@H]1CCc2nccn2C1 ZINC000328642858 344758191 /nfs/dbraw/zinc/75/81/91/344758191.db2.gz YNWZPXKLGTWMGI-CYBMUJFWSA-N 0 0 299.378 2.326 10 30 CEEERN CC(C)(NC=O)c1ccc(C#Cc2cccnc2)cc1 ZINC000584604079 344963471 /nfs/dbraw/zinc/96/34/71/344963471.db2.gz LKJFJGPPVPDMAV-UHFFFAOYSA-N 0 0 264.328 2.463 10 30 CEEERN CCOC(=O)CN(CCC#N)C(=O)OCc1ccccc1 ZINC000584604711 344963702 /nfs/dbraw/zinc/96/37/02/344963702.db2.gz NOBJWWRQJRJZOF-UHFFFAOYSA-N 0 0 290.319 2.102 10 30 CEEERN COc1ccccc1CCCCCCC(=O)C(=O)NO ZINC000584652683 344973518 /nfs/dbraw/zinc/97/35/18/344973518.db2.gz RVDVZKKSQXPOOU-UHFFFAOYSA-N 0 0 279.336 2.263 10 30 CEEERN N#Cc1cc(F)c(N2CCC[C@H](CC(N)=O)CC2)c(F)c1 ZINC000585783851 345014696 /nfs/dbraw/zinc/01/46/96/345014696.db2.gz LYELUYPDJFHXAE-JTQLQIEISA-N 0 0 293.317 2.318 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000084240906 178831014 /nfs/dbraw/zinc/83/10/14/178831014.db2.gz CTWLQNSKGLNCJZ-CABZTGNLSA-N 0 0 253.298 2.292 10 30 CEEERN CC[C@H](CC#N)[S@](=O)c1ccccc1[N+](=O)[O-] ZINC000084264138 178834116 /nfs/dbraw/zinc/83/41/16/178834116.db2.gz GDKGKVJJANMURH-VVVCHXIZSA-N 0 0 252.295 2.395 10 30 CEEERN CCC[S@](=O)CCOc1ccc(CC#N)cc1 ZINC000084262330 178834207 /nfs/dbraw/zinc/83/42/07/178834207.db2.gz UBZFVYLMZYIVRD-QGZVFWFLSA-N 0 0 251.351 2.290 10 30 CEEERN C[C@H](C[C@](C)(C#N)NC1CC1)OCC(F)(F)F ZINC000084300780 178850160 /nfs/dbraw/zinc/85/01/60/178850160.db2.gz IXJMGRFYWFOQNV-PSASIEDQSA-N 0 0 250.264 2.378 10 30 CEEERN C[C@H]1CC[C@H](NC(=O)C2(C#N)CCOCC2)C[C@@H]1C ZINC000085059829 178945267 /nfs/dbraw/zinc/94/52/67/178945267.db2.gz SBNSNDMQBRONPN-AVGNSLFASA-N 0 0 264.369 2.248 10 30 CEEERN C#CCCC[C@@H](NN)C1(c2ccccc2)CCOCC1 ZINC000097525934 185622565 /nfs/dbraw/zinc/62/25/65/185622565.db2.gz VZLWAUWBBQSHCP-MRXNPFEDSA-N 0 0 272.392 2.370 10 30 CEEERN COc1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1C ZINC000597340060 346174080 /nfs/dbraw/zinc/17/40/80/346174080.db2.gz OYORHOGAEGNISX-WCQYABFASA-N 0 0 258.321 2.426 10 30 CEEERN Cn1cc(C#N)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000085346145 179029273 /nfs/dbraw/zinc/02/92/73/179029273.db2.gz CXDPJTHQHQRRCW-UHFFFAOYSA-N 0 0 271.295 2.149 10 30 CEEERN COc1cc(OC)c(CN[C@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000061891799 362697826 /nfs/dbraw/zinc/69/78/26/362697826.db2.gz OOKCLRWSYBNGLW-RISCZKNCSA-N 0 0 290.363 2.494 10 30 CEEERN CC(=O)C(C(=O)c1ccccc1)=C(N)C(F)(F)F ZINC000100290343 185711651 /nfs/dbraw/zinc/71/16/51/185711651.db2.gz STRRLLHCCOHILM-PKNBQFBNSA-N 0 0 257.211 2.233 10 30 CEEERN Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000600708643 346675039 /nfs/dbraw/zinc/67/50/39/346675039.db2.gz LREXTWWUAUGUPC-BXUZGUMPSA-N 0 0 258.321 2.019 10 30 CEEERN C=CCN1C(=O)[C@@H](CC(C)C)NC(=O)[C@H]1c1ccccc1 ZINC000085748371 179141014 /nfs/dbraw/zinc/14/10/14/179141014.db2.gz IPODBHKNPDZGOE-HUUCEWRRSA-N 0 0 286.375 2.287 10 30 CEEERN C=CCN1C(=O)[C@@](C)(CC)NC(=O)C12CCCCC2 ZINC000085755985 179148248 /nfs/dbraw/zinc/14/82/48/179148248.db2.gz LHYQYWNZQSHHKT-CQSZACIVSA-N 0 0 264.369 2.002 10 30 CEEERN C=CCN1C(=O)C2(CCCCC2)NC(=O)C12CCCC2 ZINC000085758400 179150892 /nfs/dbraw/zinc/15/08/92/179150892.db2.gz VFRCBHJQGOGOJN-UHFFFAOYSA-N 0 0 276.380 2.147 10 30 CEEERN C[C@H](NS(=O)(=O)c1cncc(C#N)c1)c1cccs1 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ZINC000611240329 347756413 /nfs/dbraw/zinc/75/64/13/347756413.db2.gz RTAAXPCVOXXCFK-UHFFFAOYSA-N 0 0 271.349 2.189 10 30 CEEERN C/C(=N/O)c1ccc(NS(=O)(=O)CC2CC2)cc1 ZINC000086497429 179302822 /nfs/dbraw/zinc/30/28/22/179302822.db2.gz RSJFCDTYDDACQC-LCYFTJDESA-N 0 0 268.338 2.037 10 30 CEEERN N#CC1(S(=O)(=O)c2ccccc2)CC2(C1)CCOCC2 ZINC000086539919 179306883 /nfs/dbraw/zinc/30/68/83/179306883.db2.gz FYIBRZVNJBJPDX-UHFFFAOYSA-N 0 0 291.372 2.313 10 30 CEEERN CCN[C@H](C#N)CCSc1nc(C)c(C)c(C)n1 ZINC000086644626 179315642 /nfs/dbraw/zinc/31/56/42/179315642.db2.gz KHVQBAXGYAGHKF-LBPRGKRZSA-N 0 0 264.398 2.386 10 30 CEEERN Cc1ccccc1N[C@]1(C#N)CCC[C@H]1S(C)(=O)=O ZINC000086677459 179319291 /nfs/dbraw/zinc/31/92/91/179319291.db2.gz QPBILILYIGHTHQ-KGLIPLIRSA-N 0 0 278.377 2.266 10 30 CEEERN CC[C@@H]1CCCN1C(=O)c1cc(C#CCO)ccc1C ZINC000087746043 179480727 /nfs/dbraw/zinc/48/07/27/179480727.db2.gz AZIJSUJRUCOKAX-OAHLLOKOSA-N 0 0 271.360 2.353 10 30 CEEERN COC(=O)[C@@H](N)Cc1ccc(OCCC(C)(C)C#N)cc1 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370505372 /nfs/dbraw/zinc/50/53/72/370505372.db2.gz OBOLOYWNJJTOQR-APPZFPTMSA-N 0 0 283.125 2.464 10 30 CEEERN COCc1cc(C#N)cc(Br)c1OC ZINC000260743217 371637055 /nfs/dbraw/zinc/63/70/55/371637055.db2.gz FTRVNFZXQRTTOA-UHFFFAOYSA-N 0 0 256.099 2.476 10 30 CEEERN CCc1nnc(COc2cc(Cl)ccc2C#N)n1C ZINC000268499529 372119366 /nfs/dbraw/zinc/11/93/66/372119366.db2.gz RQTOVSMQEKRFDH-UHFFFAOYSA-N 0 0 276.727 2.482 10 30 CEEERN Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]32)ccc1C#N ZINC000573785571 299455202 /nfs/dbraw/zinc/45/52/02/299455202.db2.gz DKIUAXBKHPUJJE-GXTWGEPZSA-N 0 0 276.361 2.040 10 30 CEEERN COC(=O)c1c(C)c(Br)ccc1C#N ZINC000255188497 284511366 /nfs/dbraw/zinc/51/13/66/284511366.db2.gz KFPRRPCPTLQWKV-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN C[C@H](C[NH2+]Cc1ccc(C#N)o1)N(C)C(=O)OC(C)(C)C ZINC000282959814 375623636 /nfs/dbraw/zinc/62/36/36/375623636.db2.gz YIGDXPYIALUFER-LLVKDONJSA-N 0 0 293.367 2.496 10 30 CEEERN C=C=CC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000309694088 376601095 /nfs/dbraw/zinc/60/10/95/376601095.db2.gz CQWBJZUNOJXMRC-NSHDSACASA-N 0 0 251.326 2.368 10 30 CEEERN CN(C)c1ccc(CCNc2nccnc2C#N)cc1 ZINC000301203358 379217221 /nfs/dbraw/zinc/21/72/21/379217221.db2.gz XSCDMYWLHFGDNV-UHFFFAOYSA-N 0 0 267.336 2.069 10 30 CEEERN CCN(CC(=O)C1=CCCO1)C(=O)OC(C)(C)C ZINC000405522185 542271662 /nfs/dbraw/zinc/27/16/62/542271662.db2.gz PSLJLRFHONPNLW-UHFFFAOYSA-N 0 0 255.314 2.117 10 30 CEEERN CC(C)(C)OC(=O)NC(C)(C)C(=O)C1=COCC1 ZINC000405604593 542273077 /nfs/dbraw/zinc/27/30/77/542273077.db2.gz XANGDKQPYNWSSO-UHFFFAOYSA-N 0 0 255.314 2.163 10 30 CEEERN OCCC#Cc1ccc(CSC2COC2)c(F)c1 ZINC000092712068 184622532 /nfs/dbraw/zinc/62/25/32/184622532.db2.gz YRBIGXWAZZRZTJ-UHFFFAOYSA-N 0 0 266.337 2.192 10 30 CEEERN CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(C#N)cc1N ZINC000093250336 184658241 /nfs/dbraw/zinc/65/82/41/184658241.db2.gz UKPLICPQLPHRSW-LLVKDONJSA-N 0 0 295.408 2.197 10 30 CEEERN COC(=O)[C@H](CC(C)C)NC[C@@H](C#N)c1ccccc1 ZINC000080784022 177706887 /nfs/dbraw/zinc/70/68/87/177706887.db2.gz SBTSESNVQLEVQD-CABCVRRESA-N 0 0 274.364 2.471 10 30 CEEERN Cc1nnc(SCC[C@@H]2CCC[C@@]2(N)C#N)s1 ZINC000093580889 184692881 /nfs/dbraw/zinc/69/28/81/184692881.db2.gz CFBVALGMCRQMNB-GXSJLCMTSA-N 0 0 268.411 2.350 10 30 CEEERN CCN(CC(F)(F)F)[C@@H]1CCC[C@@](C#N)(NC)C1 ZINC000093742848 184711030 /nfs/dbraw/zinc/71/10/30/184711030.db2.gz NNJHCEQDLPTONX-GHMZBOCLSA-N 0 0 263.307 2.295 10 30 CEEERN N#C[C@]1(NC2CC2)CCC[C@@H](OC[C@@H]2CCCO2)C1 ZINC000093745207 184712112 /nfs/dbraw/zinc/71/21/12/184712112.db2.gz QEQNVPDULFPVNY-ILXRZTDVSA-N 0 0 264.369 2.139 10 30 CEEERN CN[C@@]1(C#N)CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000093805392 184724373 /nfs/dbraw/zinc/72/43/73/184724373.db2.gz IWOWXUNRQDZNRO-MFKMUULPSA-N 0 0 279.271 2.147 10 30 CEEERN Cc1ccncc1NC(=O)c1csc(C#CCCO)c1 ZINC000093975116 184747181 /nfs/dbraw/zinc/74/71/81/184747181.db2.gz CHOIIFRROMZROM-UHFFFAOYSA-N 0 0 286.356 2.438 10 30 CEEERN COCCCSCc1cc(F)cc(C#CCO)c1 ZINC000093982801 184747815 /nfs/dbraw/zinc/74/78/15/184747815.db2.gz AUNVSLUMMREHHQ-UHFFFAOYSA-N 0 0 268.353 2.439 10 30 CEEERN O=C1CCCCCN1Cc1cc(F)cc(C#CCCO)c1 ZINC000093981965 184748018 /nfs/dbraw/zinc/74/80/18/184748018.db2.gz UBSIUCUGQPMBNG-UHFFFAOYSA-N 0 0 289.350 2.462 10 30 CEEERN C[C@@H]1OCC[C@@H]1C(=O)N(CCC#N)c1ccccc1 ZINC000094177341 184759684 /nfs/dbraw/zinc/75/96/84/184759684.db2.gz DOZSESOAZIIMCJ-JSGCOSHPSA-N 0 0 258.321 2.358 10 30 CEEERN N#Cc1ccc(C(F)(F)F)nc1O[C@H]1CCOC1 ZINC000094335760 184783414 /nfs/dbraw/zinc/78/34/14/184783414.db2.gz VZHPQWOOYWJYIB-QMMMGPOBSA-N 0 0 258.199 2.140 10 30 CEEERN Cc1cc(C(=O)N(C)CC(F)(F)F)sc1C#CCO ZINC000094534128 184814204 /nfs/dbraw/zinc/81/42/04/184814204.db2.gz VSNUSNHUUPOQRN-UHFFFAOYSA-N 0 0 291.294 2.035 10 30 CEEERN N#Cc1cccc(CNc2nc3ccc(F)cn3n2)c1 ZINC000094603306 184824310 /nfs/dbraw/zinc/82/43/10/184824310.db2.gz NSIYDMWQWXSZGN-UHFFFAOYSA-N 0 0 267.267 2.352 10 30 CEEERN C=C[C@](C)(CC)C(=O)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000191754323 130296128 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CEEERN C#CCOCCC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000153125604 640408050 /nfs/dbraw/zinc/40/80/50/640408050.db2.gz KPUUTFZWCPKFSG-CABCVRRESA-N 0 0 293.407 2.223 10 30 CEEERN C[C@@H](OC(=O)CCc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000175275231 641318895 /nfs/dbraw/zinc/31/88/95/641318895.db2.gz DYSLMJSTYNFTNC-DOMZBBRYSA-N 0 0 273.332 2.459 10 30 CEEERN COC(=O)C1CCC(C(=O)OCC2(CC#N)CC2)CC1 ZINC000181146642 641514188 /nfs/dbraw/zinc/51/41/88/641514188.db2.gz QGVZCSAEVVIHSF-UHFFFAOYSA-N 0 0 279.336 2.203 10 30 CEEERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000135337655 652966342 /nfs/dbraw/zinc/96/63/42/652966342.db2.gz WYTQXYWRVYZCRD-GZMMTYOYSA-N 0 0 263.272 2.258 10 30 CEEERN Cc1nc(C(=O)Nc2ncccc2C#N)c(C)s1 ZINC000082290644 177948962 /nfs/dbraw/zinc/94/89/62/177948962.db2.gz YGVVEJSIOBNTMI-UHFFFAOYSA-N 0 0 258.306 2.279 10 30 CEEERN CCOC(=O)C1(c2ccccc2)CCN(CCC#N)CC1 ZINC000095762878 185026094 /nfs/dbraw/zinc/02/60/94/185026094.db2.gz GLLYOSSOZQFJJJ-UHFFFAOYSA-N 0 0 286.375 2.497 10 30 CEEERN C[C@@]1(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCC(=O)O1 ZINC000033378757 361778329 /nfs/dbraw/zinc/77/83/29/361778329.db2.gz CLFNMMZWWBGEOG-ZBKLQPJUSA-N 0 0 275.260 2.273 10 30 CEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000034955644 361799143 /nfs/dbraw/zinc/79/91/43/361799143.db2.gz AGCJCCPIOXGDJA-UHFFFAOYSA-N 0 0 280.393 2.241 10 30 CEEERN C=CCCO[C@@H](C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124803845 187155052 /nfs/dbraw/zinc/15/50/52/187155052.db2.gz VYDQGOHPRKNYOC-ZDUSSCGKSA-N 0 0 291.395 2.107 10 30 CEEERN NC(=S)N/N=C1\CCCc2ccc(Br)cc21 ZINC000034886870 361795847 /nfs/dbraw/zinc/79/58/47/361795847.db2.gz DLSPBTGUTQFLSN-GXDHUFHOSA-N 0 0 298.209 2.323 10 30 CEEERN N#CCC[S@](=O)c1ccc(Br)cc1 ZINC000082788871 178294265 /nfs/dbraw/zinc/29/42/65/178294265.db2.gz KSZYCSDDDXBWPQ-CYBMUJFWSA-N 0 0 258.140 2.470 10 30 CEEERN C=CCCO[C@H](C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000125351603 365673071 /nfs/dbraw/zinc/67/30/71/365673071.db2.gz LAMROKSCHOBEHA-HZSPNIEDSA-N 0 0 267.369 2.138 10 30 CEEERN N#Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)c(N)c1 ZINC000096601300 185108239 /nfs/dbraw/zinc/10/82/39/185108239.db2.gz VGTCVQKNLFICTQ-UHFFFAOYSA-N 0 0 281.271 2.121 10 30 CEEERN Cc1cc(Br)cnc1NC(=O)CC#N ZINC000083397650 178409148 /nfs/dbraw/zinc/40/91/48/178409148.db2.gz VRYOWKPVIHTQLH-UHFFFAOYSA-N 0 0 254.087 2.005 10 30 CEEERN O=C(Nc1ccccc1)c1ccc(C#CCO)cc1 ZINC000037566921 361904778 /nfs/dbraw/zinc/90/47/78/361904778.db2.gz VHWMXYDSXKINQQ-UHFFFAOYSA-N 0 0 251.285 2.283 10 30 CEEERN CC[C@H](NC(=O)N[C@@H]1CC[S@@](=O)C1)c1cccs1 ZINC000330027401 529454534 /nfs/dbraw/zinc/45/45/34/529454534.db2.gz NAVYEMFSFGLQFN-AUSHCKSDSA-N 0 0 286.422 2.224 10 30 CEEERN C[C@@]1(c2ccc(I)cc2)O[C@@H]1C#N ZINC000306299391 539167618 /nfs/dbraw/zinc/16/76/18/539167618.db2.gz QVOMYIGLYKCRLM-ZJUUUORDSA-N 0 0 285.084 2.429 10 30 CEEERN C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000045032573 362158130 /nfs/dbraw/zinc/15/81/30/362158130.db2.gz WGKAJWVICBFKKG-GXFFZTMASA-N 0 0 259.309 2.247 10 30 CEEERN CN1C(=S)S[C@@H](N(O)C=C2C=CC(=O)C=C2)C1(C)C ZINC000005903076 343355439 /nfs/dbraw/zinc/35/54/39/343355439.db2.gz HNMIBPAMIUHDLL-LLVKDONJSA-N 0 0 296.417 2.325 10 30 CEEERN CC=CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1 ZINC000685959236 539309132 /nfs/dbraw/zinc/30/91/32/539309132.db2.gz PAPSGZKZISKZRN-QRGHLMKCSA-N 0 0 271.382 2.484 10 30 CEEERN COC(=O)c1cccc(CC[C@@H](S)C2OCCO2)c1 ZINC000039083317 343435254 /nfs/dbraw/zinc/43/52/54/343435254.db2.gz IZNJDIQXLDDXRA-GFCCVEGCSA-N 0 0 282.361 2.077 10 30 CEEERN CCCCCCCOC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000059568452 343653248 /nfs/dbraw/zinc/65/32/48/343653248.db2.gz ANWFBSLGKBPIQG-ZDUSSCGKSA-N 0 0 291.413 2.260 10 30 CEEERN CCCCCCCCOC(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC000059568475 343653390 /nfs/dbraw/zinc/65/33/90/343653390.db2.gz IFYJGVFCQTWLHJ-GFCCVEGCSA-N 0 0 289.397 2.384 10 30 CEEERN CC[C@@H](NC(=O)COc1ccc(C#N)cc1)C(C)C ZINC000048976865 362319196 /nfs/dbraw/zinc/31/91/96/362319196.db2.gz YYIBSOABLAGFIT-CQSZACIVSA-N 0 0 260.337 2.488 10 30 CEEERN C#CCn1c(=O)c2ccccc2c2ccccc2c1=O ZINC000081951655 344069339 /nfs/dbraw/zinc/06/93/39/344069339.db2.gz QMBLXQVLHZHJLP-UHFFFAOYSA-N 0 0 261.280 2.148 10 30 CEEERN C[C@@H]1CCN(c2cc(C#N)nc3ccccc32)C[C@@H]1O ZINC000092977763 344208907 /nfs/dbraw/zinc/20/89/07/344208907.db2.gz JICANSDYBTZFLN-BZNIZROVSA-N 0 0 267.332 2.314 10 30 CEEERN CC[C@@H](S)CC(=O)OCCOC(=O)C[C@H](S)CC ZINC000114738985 344280879 /nfs/dbraw/zinc/28/08/79/344280879.db2.gz LDVVGHWJTSBTSL-NXEZZACHSA-N 0 0 294.438 2.270 10 30 CEEERN C#C[C@@H](NC)c1ccccc1I ZINC000130094233 344350188 /nfs/dbraw/zinc/35/01/88/344350188.db2.gz RPUUKIXKEONSMS-SNVBAGLBSA-N 0 0 271.101 2.185 10 30 CEEERN COC(=O)c1ccc([C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000143887068 344406411 /nfs/dbraw/zinc/40/64/11/344406411.db2.gz XMPKKXNKCYKPOF-HNNXBMFYSA-N 0 0 267.284 2.427 10 30 CEEERN CC(C)Oc1ncc([C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000144681825 344408354 /nfs/dbraw/zinc/40/83/54/344408354.db2.gz UFTDHPHIGJPFPH-AWEZNQCLSA-N 0 0 269.304 2.217 10 30 CEEERN 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C[C@H](CO)CSCCC[C@@](C)(C#N)NC1CC1 ZINC000091258311 180115544 /nfs/dbraw/zinc/11/55/44/180115544.db2.gz WUGIUBOBNMXHOI-YPMHNXCESA-N 0 0 256.415 2.162 10 30 CEEERN O=C(Nc1ccccc1Cl)c1ccncc1C#CCO ZINC000091457582 180160841 /nfs/dbraw/zinc/16/08/41/180160841.db2.gz DVYXUXMDXGRZBM-UHFFFAOYSA-N 0 0 286.718 2.331 10 30 CEEERN C[C@H]1CCC[C@H](C)N1C(=O)c1ccncc1C#CCCO ZINC000091457637 180160849 /nfs/dbraw/zinc/16/08/49/180160849.db2.gz LYGFXTSNJXZAOD-KBPBESRZSA-N 0 0 286.375 2.219 10 30 CEEERN C[C@H]1CCCN(C(=O)c2ccncc2C#CCCO)CC1 ZINC000091459644 180161023 /nfs/dbraw/zinc/16/10/23/180161023.db2.gz OUQWKZNEFBCLEQ-AWEZNQCLSA-N 0 0 286.375 2.078 10 30 CEEERN CC(C)C[C@@H](C)N(C)C(=O)c1ccncc1C#CCCO ZINC000091458783 180161078 /nfs/dbraw/zinc/16/10/78/180161078.db2.gz RKKBCCDRXGOLCY-CQSZACIVSA-N 0 0 288.391 2.322 10 30 CEEERN CSC1(C#N)CCN(C(=O)c2ncccc2C)CC1 ZINC000091473217 180165574 /nfs/dbraw/zinc/16/55/74/180165574.db2.gz ZLNMIRBTCSZZCU-UHFFFAOYSA-N 0 0 275.377 2.251 10 30 CEEERN CSC1(C#N)CCN(Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000091476229 180165829 /nfs/dbraw/zinc/16/58/29/180165829.db2.gz RYTTVYAPUGLAFQ-UHFFFAOYSA-N 0 0 281.337 2.409 10 30 CEEERN Cc1ccc(C#CCO)cc1C(=O)Nc1cccnc1C ZINC000091497920 180172947 /nfs/dbraw/zinc/17/29/47/180172947.db2.gz CHIPVMPVIVYAJY-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN CCCc1nn(C)c(N(CC)C[C@@H](C)C#N)c1[N+](=O)[O-] ZINC000091562448 180192887 /nfs/dbraw/zinc/19/28/87/180192887.db2.gz TZSIGMNMAPMPJU-JTQLQIEISA-N 0 0 279.344 2.267 10 30 CEEERN CN(C(=O)c1ccc(C#N)cc1)C1CCC(=O)CC1 ZINC000091853036 180273937 /nfs/dbraw/zinc/27/39/37/180273937.db2.gz REJRSDUIDMVOGM-UHFFFAOYSA-N 0 0 256.305 2.142 10 30 CEEERN CC(C)[C@H](O)c1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091824511 180264126 /nfs/dbraw/zinc/26/41/26/180264126.db2.gz IHVWFLBXFRSHFW-HNNXBMFYSA-N 0 0 255.321 2.492 10 30 CEEERN C[C@](O)(c1ccccc1Cl)[C@]1(C#N)CCOC1 ZINC000091877777 180278775 /nfs/dbraw/zinc/27/87/75/180278775.db2.gz FZGLEUISQWICES-STQMWFEESA-N 0 0 251.713 2.478 10 30 CEEERN 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COC(OC)[C@@](C)(O)[C@@]1(C#N)CCCc2ccccc21 ZINC000091904275 180282900 /nfs/dbraw/zinc/28/29/00/180282900.db2.gz QIJVONHENZIOAA-HZPDHXFCSA-N 0 0 275.348 2.154 10 30 CEEERN N#CC1(C2(O)CCC(=O)CC2)Cc2ccccc2C1 ZINC000091903781 180283041 /nfs/dbraw/zinc/28/30/41/180283041.db2.gz LHNJFZWUHCRECY-UHFFFAOYSA-N 0 0 255.317 2.169 10 30 CEEERN C#CC[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000105679356 186068148 /nfs/dbraw/zinc/06/81/48/186068148.db2.gz MHDPHYUEZRXLFZ-SECBINFHSA-N 0 0 285.174 2.393 10 30 CEEERN N#CCOc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000105995169 186096624 /nfs/dbraw/zinc/09/66/24/186096624.db2.gz NMBUOCACQNPTJU-KBPBESRZSA-N 0 0 282.299 2.045 10 30 CEEERN Cn1ncc(C#N)c1NC(=O)c1ccc(Cl)s1 ZINC000106067906 186100865 /nfs/dbraw/zinc/10/08/65/186100865.db2.gz JJGUZPIRLBMQEE-UHFFFAOYSA-N 0 0 266.713 2.259 10 30 CEEERN C=CC[N@H+](CC(=O)[O-])[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000092469143 180392069 /nfs/dbraw/zinc/39/20/69/180392069.db2.gz NEFQJGBFYOEAEJ-NSHDSACASA-N 0 0 277.320 2.091 10 30 CEEERN C#CCNCc1nc(-c2ccc3ccccc3n2)no1 ZINC000092481494 180394924 /nfs/dbraw/zinc/39/49/24/180394924.db2.gz BXMNYFFUQZHLPU-UHFFFAOYSA-N 0 0 264.288 2.008 10 30 CEEERN C#CC[N@H+](CC(=O)[O-])[C@H](C)CCc1ccc(OC)cc1 ZINC000092491424 180395577 /nfs/dbraw/zinc/39/55/77/180395577.db2.gz YIAFNKYWLZQGSU-CYBMUJFWSA-N 0 0 275.348 2.036 10 30 CEEERN C#CCN(CCC)C(=O)[C@H]1COc2ccccc2C1 ZINC000108911020 186235583 /nfs/dbraw/zinc/23/55/83/186235583.db2.gz KUMNYPVRLDGCER-CQSZACIVSA-N 0 0 257.333 2.110 10 30 CEEERN C#CCN(CCC)S(=O)(=O)c1ccc(CC)s1 ZINC000108920389 186236095 /nfs/dbraw/zinc/23/60/95/186236095.db2.gz PVYZTBFQRDUDTR-UHFFFAOYSA-N 0 0 271.407 2.344 10 30 CEEERN CCC[C@@H](C#N)N1CCN(C(=O)c2ccsc2)CC1 ZINC000109446966 186252807 /nfs/dbraw/zinc/25/28/07/186252807.db2.gz BFMNNQBWAFQETD-ZDUSSCGKSA-N 0 0 277.393 2.198 10 30 CEEERN CCC[C@@H](C#N)N1CCN(C(=O)C(C)(C)CC)CC1 ZINC000109447202 186253132 /nfs/dbraw/zinc/25/31/32/186253132.db2.gz UAYNSXYFGIIDGN-ZDUSSCGKSA-N 0 0 265.401 2.259 10 30 CEEERN CCC[C@@H](C#N)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000109457966 186254187 /nfs/dbraw/zinc/25/41/87/186254187.db2.gz MDNPNSIBFLXTQX-IRXDYDNUSA-N 0 0 287.407 2.030 10 30 CEEERN Cc1nnc(SCc2cc(C#CCCO)cs2)n1C ZINC000109982333 186282014 /nfs/dbraw/zinc/28/20/14/186282014.db2.gz RSPPTAJMOFKJJC-UHFFFAOYSA-N 0 0 293.417 2.211 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2cncc(C#CCCO)c2)CC1 ZINC000110817717 186326030 /nfs/dbraw/zinc/32/60/30/186326030.db2.gz MNGNIVGVEMTQDY-CQSZACIVSA-N 0 0 286.375 2.078 10 30 CEEERN N#Cc1cc2c(nc1Sc1cnccn1)CCC2 ZINC000110913210 186332065 /nfs/dbraw/zinc/33/20/65/186332065.db2.gz KISBJDYBGDBQDY-UHFFFAOYSA-N 0 0 254.318 2.383 10 30 CEEERN CCCN[C@](C)(C#N)CCSc1cnccn1 ZINC000110914402 186332575 /nfs/dbraw/zinc/33/25/75/186332575.db2.gz LBMPBFNKZYZFIU-LBPRGKRZSA-N 0 0 250.371 2.241 10 30 CEEERN CC(C)(C)NC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110950430 186335477 /nfs/dbraw/zinc/33/54/77/186335477.db2.gz QVFUAIZAEYCELZ-UHFFFAOYSA-N 0 0 270.336 2.017 10 30 CEEERN C[C@H](C(=O)N1CCCC1)n1c(CC#N)nc2ccccc21 ZINC000110950374 186335951 /nfs/dbraw/zinc/33/59/51/186335951.db2.gz SHENSPDSGVQJJB-GFCCVEGCSA-N 0 0 282.347 2.286 10 30 CEEERN N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC(=O)NC1 ZINC000111021273 186345412 /nfs/dbraw/zinc/34/54/12/186345412.db2.gz PDFSLYDSHWOKTG-SNVBAGLBSA-N 0 0 283.253 2.268 10 30 CEEERN CCCOCCOCCCC[C@](C)(C#N)NCC ZINC000111110220 186353322 /nfs/dbraw/zinc/35/33/22/186353322.db2.gz BGNAXHNDRKIOKQ-CQSZACIVSA-N 0 0 256.390 2.492 10 30 CEEERN CCN(C(=O)c1ccc(C#N)cn1)c1ccccc1N ZINC000111280645 186388135 /nfs/dbraw/zinc/38/81/35/186388135.db2.gz BSCIXMZGIQZWJM-UHFFFAOYSA-N 0 0 266.304 2.202 10 30 CEEERN CN(CCC#N)C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000075195255 363449695 /nfs/dbraw/zinc/44/96/95/363449695.db2.gz HATQIRCWTRITFV-RYUDHWBXSA-N 0 0 295.383 2.052 10 30 CEEERN C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000133756408 366251687 /nfs/dbraw/zinc/25/16/87/366251687.db2.gz XQGLFEWDKHODRY-BXUZGUMPSA-N 0 0 288.347 2.108 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(C=O)cc1C(F)(F)F ZINC000575391281 366268206 /nfs/dbraw/zinc/26/82/06/366268206.db2.gz JCKNWXISGVTUIG-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(O)c1OC(F)(F)F ZINC000575391742 366269942 /nfs/dbraw/zinc/26/99/42/366269942.db2.gz NMHCKVTVJACGRI-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)c1cc(C#N)c(OC)cc1C(F)(F)F ZINC000575393989 366272720 /nfs/dbraw/zinc/27/27/20/366272720.db2.gz BSKFPFLSKIUNEB-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN COC(=O)Cc1cc(OC(F)(F)F)c(OC)cc1C#N ZINC000575394006 366273113 /nfs/dbraw/zinc/27/31/13/366273113.db2.gz DDKMMVQADGCUPG-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)c1c(OC)cc(C#N)cc1OC(F)(F)F ZINC000575394792 366273540 /nfs/dbraw/zinc/27/35/40/366273540.db2.gz OAELYIZSJFBRPW-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1OC ZINC000575394848 366273628 /nfs/dbraw/zinc/27/36/28/366273628.db2.gz PSXSQCFRIUMHQC-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN COC(=O)Cc1ccc(OC(F)(F)F)c(C#N)c1OC ZINC000575394908 366274676 /nfs/dbraw/zinc/27/46/76/366274676.db2.gz SBYSLJYVGUSGGD-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1cc(C#N)c(OC)c(C(F)(F)F)c1 ZINC000575395084 366275093 /nfs/dbraw/zinc/27/50/93/366275093.db2.gz WRBJIFSRTYINBF-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1cc(C#N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575395848 366275672 /nfs/dbraw/zinc/27/56/72/366275672.db2.gz SAUMIDKBKAXLIW-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN N#CCN(C[C@@H](O)COCc1ccccc1)C1CCCC1 ZINC000078003451 363548936 /nfs/dbraw/zinc/54/89/36/363548936.db2.gz HDIZYFOKAIGFEZ-QGZVFWFLSA-N 0 0 288.391 2.332 10 30 CEEERN CCOc1ccc(C#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575659792 366319793 /nfs/dbraw/zinc/31/97/93/366319793.db2.gz ZHLCOTGTZSDUAL-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN N#CCc1ccc(N)c(Br)c1[N+](=O)[O-] ZINC000575715096 366343171 /nfs/dbraw/zinc/34/31/71/366343171.db2.gz RMTGKWGWZCRCGY-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN CC(C)(C)OC(=O)N(CC=O)C(=O)OC(C)(C)C ZINC000145929322 366573850 /nfs/dbraw/zinc/57/38/50/366573850.db2.gz LAQWORBIRNDHQO-UHFFFAOYSA-N 0 0 259.302 2.358 10 30 CEEERN Fc1ccc(C#CCN2CCC[C@H](n3cncn3)C2)cc1 ZINC000178974498 189159209 /nfs/dbraw/zinc/15/92/09/189159209.db2.gz JXGBUPDQUCRUMF-INIZCTEOSA-N 0 0 284.338 2.106 10 30 CEEERN C=CCN(CC=C)C(=O)C1CCC(C(=O)OC)CC1 ZINC000179441067 189194947 /nfs/dbraw/zinc/19/49/47/189194947.db2.gz PJOIULOTVDZMBR-UHFFFAOYSA-N 0 0 265.353 2.166 10 30 CEEERN CO/N=C/C1=CCCN(C(=O)Oc2ccccc2)C1 ZINC000001889907 361224034 /nfs/dbraw/zinc/22/40/34/361224034.db2.gz GGIGXOXHMJUBPY-XNTDXEJSSA-N 0 0 260.293 2.450 10 30 CEEERN N#Cc1ccc(CN=Nc2ccc(Cl)nn2)cc1 ZINC000004276778 361308728 /nfs/dbraw/zinc/30/87/28/361308728.db2.gz LQJRPSJQJJNRES-OVCLIPMQSA-N 0 0 257.684 2.448 10 30 CEEERN C[C@@H](Nc1nn2c(nccc2=O)s1)c1cccc(C#N)c1 ZINC000301438142 201008702 /nfs/dbraw/zinc/00/87/02/201008702.db2.gz LIAVAFFFYBBUTM-SECBINFHSA-N 0 0 297.343 2.196 10 30 CEEERN Cc1cc(NCc2cccc(C(N)=O)c2)c(C#N)c(C)n1 ZINC000301771937 201188701 /nfs/dbraw/zinc/18/87/01/201188701.db2.gz JMYJHGQYAWHDHN-UHFFFAOYSA-N 0 0 280.331 2.281 10 30 CEEERN CCc1nc2n(n1)CCC[C@H]2NCc1ccc(C#N)cc1 ZINC000088757572 363921564 /nfs/dbraw/zinc/92/15/64/363921564.db2.gz NIHHBOQBZMLXFO-CQSZACIVSA-N 0 0 281.363 2.337 10 30 CEEERN C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@H]1CCCO1 ZINC000119749602 365319624 /nfs/dbraw/zinc/31/96/24/365319624.db2.gz ALINLQXTNRQWEY-PRHODGIISA-N 0 0 280.274 2.134 10 30 CEEERN C[C@@H]1C[C@@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000170807829 367420575 /nfs/dbraw/zinc/42/05/75/367420575.db2.gz GLXKXQDGMTUSDZ-RISCZKNCSA-N 0 0 289.404 2.499 10 30 CEEERN C=C(C)COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172728221 367808345 /nfs/dbraw/zinc/80/83/45/367808345.db2.gz KBXFUFJLSBQVKQ-NSHDSACASA-N 0 0 269.341 2.363 10 30 CEEERN C=CCOCCCC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000173098008 367868291 /nfs/dbraw/zinc/86/82/91/367868291.db2.gz KBWZBTDMUBLZMW-HNNXBMFYSA-N 0 0 291.395 2.338 10 30 CEEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000175706484 368166212 /nfs/dbraw/zinc/16/62/12/368166212.db2.gz QFYNCNXORGKJAE-CHWSQXEVSA-N 0 0 273.282 2.163 10 30 CEEERN C[C@@H](NC(=O)c1cc(C#N)cn1C)c1cccs1 ZINC000176532791 368248265 /nfs/dbraw/zinc/24/82/65/368248265.db2.gz USOCAOJUYMVNDX-SECBINFHSA-N 0 0 259.334 2.449 10 30 CEEERN Cc1cnn([C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)c1 ZINC000176241037 368215767 /nfs/dbraw/zinc/21/57/67/368215767.db2.gz DXJKPAFZNNBXFG-KRWDZBQOSA-N 0 0 293.370 2.407 10 30 CEEERN C#CCC(C)(C)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000185517964 368818467 /nfs/dbraw/zinc/81/84/67/368818467.db2.gz XOEJPPYCTXSQKT-LLVKDONJSA-N 0 0 278.377 2.093 10 30 CEEERN C=CC[C@H](C(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000189471432 369521564 /nfs/dbraw/zinc/52/15/64/369521564.db2.gz HRQIJCLFUDBRQJ-GJZGRUSLSA-N 0 0 296.374 2.069 10 30 CEEERN N#Cc1cc(Cl)ccc1N1CC(n2cccn2)C1 ZINC000369242317 373368546 /nfs/dbraw/zinc/36/85/46/373368546.db2.gz KWGCKQJFQGPJGR-UHFFFAOYSA-N 0 0 258.712 2.469 10 30 CEEERN CC(=O)c1ccc(C#N)c(N2CCN3CCCC[C@@H]3C2)c1 ZINC000272474460 373503937 /nfs/dbraw/zinc/50/39/37/373503937.db2.gz IPAHTQVYVNFNNW-MRXNPFEDSA-N 0 0 283.375 2.435 10 30 CEEERN C=CCOc1ccc(C(=O)N2C[C@H](O)C[C@H](C)C2)cc1 ZINC000401614413 375374165 /nfs/dbraw/zinc/37/41/65/375374165.db2.gz MHFYKMGPSBQYGC-GXTWGEPZSA-N 0 0 275.348 2.094 10 30 CEEERN N#Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccn1 ZINC000282264642 375443354 /nfs/dbraw/zinc/44/33/54/375443354.db2.gz WFCXKSBJPLNGDG-OAGGEKHMSA-N 0 0 299.374 2.109 10 30 CEEERN CN[C@H](C#N)c1cccc(I)c1 ZINC000306449781 376547391 /nfs/dbraw/zinc/54/73/91/376547391.db2.gz NPLWHJCMJHCZRI-SECBINFHSA-N 0 0 272.089 2.075 10 30 CEEERN CCC[C@@]1(COC)CCCN1c1cnc(C#N)cn1 ZINC000302832322 379463062 /nfs/dbraw/zinc/46/30/62/379463062.db2.gz RKKIFYAKONRIER-AWEZNQCLSA-N 0 0 260.341 2.134 10 30 CEEERN C#CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000405569517 542272459 /nfs/dbraw/zinc/27/24/59/542272459.db2.gz CMTPRBFDZMRGKK-GHMZBOCLSA-N 0 0 251.326 2.082 10 30 CEEERN C#CC(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000405805680 542275846 /nfs/dbraw/zinc/27/58/46/542275846.db2.gz CIFQXRZGXSOARD-WDEREUQCSA-N 0 0 251.326 2.272 10 30 CEEERN CC#CCC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000405873232 542277290 /nfs/dbraw/zinc/27/72/90/542277290.db2.gz UZKQBGQPENYLQU-UHFFFAOYSA-N 0 0 251.326 2.416 10 30 CEEERN CC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000186682057 270251302 /nfs/dbraw/zinc/25/13/02/270251302.db2.gz IYINNFPJNGJVAE-HNNXBMFYSA-N 0 0 291.782 2.312 10 30 CEEERN CNc1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccn1 ZINC000051638866 184566384 /nfs/dbraw/zinc/56/63/84/184566384.db2.gz KBZUIRSAGWNSRK-UHFFFAOYSA-N 0 0 270.267 2.386 10 30 CEEERN CC(C)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000044823738 184560480 /nfs/dbraw/zinc/56/04/80/184560480.db2.gz LZOASJAXNFFESC-GFCCVEGCSA-N 0 0 261.281 2.007 10 30 CEEERN C#CCCCC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000192199999 533011927 /nfs/dbraw/zinc/01/19/27/533011927.db2.gz RENVHLSMJJVKJE-DOMZBBRYSA-N 0 0 293.313 2.403 10 30 CEEERN CC(=O)c1cccc(NC(=O)Nc2n[nH]cc2C#N)c1 ZINC000093335038 184666148 /nfs/dbraw/zinc/66/61/48/184666148.db2.gz RQALXJURLWBFJD-UHFFFAOYSA-N 0 0 269.264 2.128 10 30 CEEERN N#Cc1ccc(CS(=O)(=O)N(CC2CC2)C2CC2)cc1 ZINC000080369117 177645685 /nfs/dbraw/zinc/64/56/85/177645685.db2.gz QRQLFUSXKVALSX-UHFFFAOYSA-N 0 0 290.388 2.262 10 30 CEEERN CN[C@@]1(C#N)CC[C@@H](Oc2cccc(COC)c2)C1 ZINC000093805652 184723770 /nfs/dbraw/zinc/72/37/70/184723770.db2.gz NRQBICXVZXERFU-CABCVRRESA-N 0 0 260.337 2.246 10 30 CEEERN CCc1nc(CC)n([C@H]2CC[C@@](C#N)(NC(C)C)C2)n1 ZINC000093804150 184723772 /nfs/dbraw/zinc/72/37/72/184723772.db2.gz OUQPWZRSGDSMLA-SWLSCSKDSA-N 0 0 275.400 2.388 10 30 CEEERN CCCN[C@@]1(C#N)CC[C@H](Sc2cnccn2)C1 ZINC000093807106 184724049 /nfs/dbraw/zinc/72/40/49/184724049.db2.gz JIAZAQOSVPVMFF-AAEUAGOBSA-N 0 0 262.382 2.383 10 30 CEEERN C[C@@H](NC(=O)c1csc(C#CCCO)c1)C1CC1 ZINC000093973843 184746731 /nfs/dbraw/zinc/74/67/31/184746731.db2.gz SZQVZNOYPZZNFL-SNVBAGLBSA-N 0 0 263.362 2.010 10 30 CEEERN C[C@H](CC#N)N(C)C(=O)c1ccc(Br)cc1N ZINC000094046082 184752565 /nfs/dbraw/zinc/75/25/65/184752565.db2.gz VVUJBHYYHSFZBX-MRVPVSSYSA-N 0 0 296.168 2.405 10 30 CEEERN C=CCN1C(=O)N=C(N)[C@H]1c1cccc(OCCC)c1 ZINC000094516356 184813074 /nfs/dbraw/zinc/81/30/74/184813074.db2.gz VLAZZEQJGLSFNJ-CYBMUJFWSA-N 0 0 273.336 2.495 10 30 CEEERN Cc1cc(C(=O)Nc2nccs2)sc1C#CCCO ZINC000094533312 184814198 /nfs/dbraw/zinc/81/41/98/184814198.db2.gz SKKOMHYNLMXYCP-UHFFFAOYSA-N 0 0 292.385 2.499 10 30 CEEERN Cc1cc(C(=O)N[C@@H](C)C(C)C)sc1C#CCO ZINC000094533934 184814695 /nfs/dbraw/zinc/81/46/95/184814695.db2.gz KYICAHISNCGVBY-NSHDSACASA-N 0 0 265.378 2.175 10 30 CEEERN Cc1ccc(C#CCCO)cc1NS(=O)(=O)CC(C)C ZINC000080192537 177623091 /nfs/dbraw/zinc/62/30/91/177623091.db2.gz FKZYPZCKRURPIB-UHFFFAOYSA-N 0 0 295.404 2.127 10 30 CEEERN C#Cc1cccc(N(C)C(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000191229582 533346157 /nfs/dbraw/zinc/34/61/57/533346157.db2.gz PJHUHIZGIOLHJH-DOMZBBRYSA-N 0 0 257.333 2.446 10 30 CEEERN C=CCC1(C(=O)N2CCC[C@H](n3cncn3)C2)CCC1 ZINC000191269270 130213259 /nfs/dbraw/zinc/21/32/59/130213259.db2.gz UBHFCSSEIZYIFX-ZDUSSCGKSA-N 0 0 274.368 2.188 10 30 CEEERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000191918760 130328401 /nfs/dbraw/zinc/32/84/01/130328401.db2.gz NACGRWOKNFUBAF-BXKDBHETSA-N 0 0 262.284 2.451 10 30 CEEERN Cc1nn(C)c(CC2(C#N)CC2)c1Br ZINC000307061764 394520262 /nfs/dbraw/zinc/52/02/62/394520262.db2.gz LNYXOVXMTKCMBF-UHFFFAOYSA-N 0 0 254.131 2.337 10 30 CEEERN C=CCCCN(C)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000153160116 395001238 /nfs/dbraw/zinc/00/12/38/395001238.db2.gz RRPWCEVBTVEILV-LBPRGKRZSA-N 0 0 291.399 2.283 10 30 CEEERN C=C[C@@](C)(CC)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000135024273 394961529 /nfs/dbraw/zinc/96/15/29/394961529.db2.gz PYIYAYUEYUHCGE-INIZCTEOSA-N 0 0 288.395 2.118 10 30 CEEERN C[C@@H](C#N)CNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000182293987 395239485 /nfs/dbraw/zinc/23/94/85/395239485.db2.gz XLOFCCUREPBDCN-DTWKUNHWSA-N 0 0 267.279 2.485 10 30 CEEERN Cc1ccc(C#N)c(N[C@@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000179771227 395198208 /nfs/dbraw/zinc/19/82/08/395198208.db2.gz JZIBEFWQLIVJNU-CYBMUJFWSA-N 0 0 296.378 2.404 10 30 CEEERN C[Si](C)(C)C#Cc1ccc(S(C)(=O)=O)cc1 ZINC000196492776 395468818 /nfs/dbraw/zinc/46/88/18/395468818.db2.gz QETDHHAGINUTBO-UHFFFAOYSA-N 0 0 252.411 2.319 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(Br)cc1C=O ZINC000575341644 395660145 /nfs/dbraw/zinc/66/01/45/395660145.db2.gz BXNBIBFEZXHLQI-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN COC(=O)Cc1ccc(OC)c(C(F)F)c1C#N ZINC000575343597 395660227 /nfs/dbraw/zinc/66/02/27/395660227.db2.gz NMVFYUPFPYFERE-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN CCOC(=O)c1ccnc(C#N)c1OC(F)(F)F ZINC000575374302 395661490 /nfs/dbraw/zinc/66/14/90/395661490.db2.gz KXNIVVUVPLGJOU-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)Cc1ccc(Cl)c(C#N)c1C=O ZINC000575382706 395662336 /nfs/dbraw/zinc/66/23/36/395662336.db2.gz HAUCSUHDYQXFRG-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1Cl ZINC000575382878 395662372 /nfs/dbraw/zinc/66/23/72/395662372.db2.gz MAPSKSCNXYFFLY-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1ccc(Br)c(C#N)c1OC ZINC000575383004 395662577 /nfs/dbraw/zinc/66/25/77/395662577.db2.gz KONCCAFJMHWHNP-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)Cc1ccc(Br)c(C=O)c1C#N ZINC000575382976 395662580 /nfs/dbraw/zinc/66/25/80/395662580.db2.gz LGFVMCAGLOOROC-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN CCOC(=O)c1ccc(F)c(OC(F)F)c1C#N ZINC000575386145 395663007 /nfs/dbraw/zinc/66/30/07/395663007.db2.gz WFUQJIHOMCVHTF-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(OC(F)F)c1F ZINC000575386018 395663012 /nfs/dbraw/zinc/66/30/12/395663012.db2.gz UVVZBVFLXAHOMS-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1c(O)c(OC(F)F)ccc1C#N ZINC000575385947 395663081 /nfs/dbraw/zinc/66/30/81/395663081.db2.gz PELDKLOAWUXEAP-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(OC(F)F)c1F 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400184211 /nfs/dbraw/zinc/18/42/11/400184211.db2.gz FFYKCCFTGMRTEB-UHFFFAOYSA-N 0 0 254.289 2.353 10 30 CEEERN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)N2CCOCC2)C12CCC2 ZINC000329701985 286313102 /nfs/dbraw/zinc/31/31/02/286313102.db2.gz HQXUITVSTOFIRD-HZSPNIEDSA-N 0 0 296.411 2.011 10 30 CEEERN N#Cc1ccc(NCC[C@H]2c3ccccc3NC2=O)nc1 ZINC000192601348 153211499 /nfs/dbraw/zinc/21/14/99/153211499.db2.gz PKJRWFISRSEXIT-ZDUSSCGKSA-N 0 0 278.315 2.491 10 30 CEEERN N#Cc1cccnc1NCC[C@H]1c2ccccc2NC1=O ZINC000194126471 153249579 /nfs/dbraw/zinc/24/95/79/153249579.db2.gz DXOFEFULZUGPEM-ZDUSSCGKSA-N 0 0 278.315 2.491 10 30 CEEERN COc1cc(OC)c2c(c1)C(C#N)N(C(C)=O)C=C2 ZINC000005283470 170082456 /nfs/dbraw/zinc/08/24/56/170082456.db2.gz MOARBCOQKVMFBE-CYBMUJFWSA-N 0 0 258.277 2.101 10 30 CEEERN C#C[C@@H]([C@H](O)c1ccccc1)n1nnc2ccccc21 ZINC000005282273 170082560 /nfs/dbraw/zinc/08/25/60/170082560.db2.gz URZZMIAYCWMYJD-GOEBONIOSA-N 0 0 263.300 2.339 10 30 CEEERN Cc1ccc(S(=O)(=O)ON=C2C=CC(=O)C=C2)c(C)c1 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170819454 /nfs/dbraw/zinc/81/94/54/170819454.db2.gz PGMVMTVOHBNGLN-UHFFFAOYSA-N 0 0 286.331 2.411 10 30 CEEERN C=CC[C@]1(c2ccccc2)C=C(C(=O)OC)C(=O)O1 ZINC000021988540 171346318 /nfs/dbraw/zinc/34/63/18/171346318.db2.gz KWPPMNQEXNBLIR-OAHLLOKOSA-N 0 0 258.273 2.114 10 30 CEEERN COC1=CC(=O)c2nc(-c3ccccn3)ccc2C1=O ZINC000026283399 171478701 /nfs/dbraw/zinc/47/87/01/171478701.db2.gz HSRDHUCUVNUZAT-UHFFFAOYSA-N 0 0 266.256 2.053 10 30 CEEERN C=CCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000027767552 171532119 /nfs/dbraw/zinc/53/21/19/171532119.db2.gz GGVFKIFGVSUWJD-ZDUSSCGKSA-N 0 0 294.782 2.397 10 30 CEEERN COc1cccc(S(=O)(=O)C2(C#N)CCCC2)c1 ZINC000035676725 172347593 /nfs/dbraw/zinc/34/75/93/172347593.db2.gz XYNVYKJXMHQFOS-UHFFFAOYSA-N 0 0 265.334 2.305 10 30 CEEERN CN(CCC#N)C(=O)CCOc1ccc(F)c(F)c1 ZINC000036749936 172677035 /nfs/dbraw/zinc/67/70/35/172677035.db2.gz HOLKDLGEUWFQPF-UHFFFAOYSA-N 0 0 268.263 2.106 10 30 CEEERN CN(C1CCCC1)S(=O)(=O)Cc1ccccc1C#N ZINC000037022495 172886332 /nfs/dbraw/zinc/88/63/32/172886332.db2.gz SVTJCPPISBSTPV-UHFFFAOYSA-N 0 0 278.377 2.262 10 30 CEEERN COc1ccc([C@H](C#N)NC(C)C)c(OC)c1OC ZINC000037329907 173131098 /nfs/dbraw/zinc/13/10/98/173131098.db2.gz DVLULQFBAGVCNF-NSHDSACASA-N 0 0 264.325 2.275 10 30 CEEERN N#C[C@@H](C(=O)C1CCC1)c1ccc2c(c1)OCCO2 ZINC000037348108 173144235 /nfs/dbraw/zinc/14/42/35/173144235.db2.gz DTBCWTBNPYMGBC-GFCCVEGCSA-N 0 0 257.289 2.434 10 30 CEEERN CN(C)[C@H](C#N)c1cc(Cl)c2c(c1)OCCO2 ZINC000037354684 173147015 /nfs/dbraw/zinc/14/70/15/173147015.db2.gz UJJRKJWRJUFHKG-SNVBAGLBSA-N 0 0 252.701 2.237 10 30 CEEERN CN(C)[C@H](C#N)c1cc(Br)c2c(c1)OCCO2 ZINC000037354700 173147060 /nfs/dbraw/zinc/14/70/60/173147060.db2.gz FPHOAHGLZFXBDL-SNVBAGLBSA-N 0 0 297.152 2.347 10 30 CEEERN O=C(Nc1cccc(C#CCO)c1)c1cc(Cl)c[nH]1 ZINC000037548659 173265584 /nfs/dbraw/zinc/26/55/84/173265584.db2.gz CVFFVGRCLDHMDX-UHFFFAOYSA-N 0 0 274.707 2.264 10 30 CEEERN CSCCC(=O)Nc1ccc(C#CCCO)cc1 ZINC000037549901 173267999 /nfs/dbraw/zinc/26/79/99/173267999.db2.gz YFSNGADJLSGGTD-UHFFFAOYSA-N 0 0 263.362 2.112 10 30 CEEERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C#CCCO ZINC000037550450 173268591 /nfs/dbraw/zinc/26/85/91/173268591.db2.gz VICNQCPXHIWOEP-GWCFXTLKSA-N 0 0 261.296 2.154 10 30 CEEERN C[C@@H]1CCCN1C(=O)c1ccccc1C#CCCO ZINC000037912561 173845683 /nfs/dbraw/zinc/84/56/83/173845683.db2.gz IOBDQAPICBBIPH-CYBMUJFWSA-N 0 0 257.333 2.045 10 30 CEEERN N#C[C@@]1(NCc2cccs2)COc2cc(O)ccc21 ZINC000037939595 173878871 /nfs/dbraw/zinc/87/88/71/173878871.db2.gz CGTRZRWARVSCJO-CQSZACIVSA-N 0 0 272.329 2.355 10 30 CEEERN COc1cccc(CNc2ncc(N)cc2C#N)c1 ZINC000038077976 174088059 /nfs/dbraw/zinc/08/80/59/174088059.db2.gz VIENOISVUKQOQQ-UHFFFAOYSA-N 0 0 254.293 2.156 10 30 CEEERN COc1ccc(NC(=NC#N)SC)cc1OC ZINC000039255602 174167336 /nfs/dbraw/zinc/16/73/36/174167336.db2.gz VOZHYVXIZRHIIY-UHFFFAOYSA-N 0 0 251.311 2.316 10 30 CEEERN Cc1cc(C)c(C#N)c(Nc2ccc(C(N)=O)cc2)n1 ZINC000040508844 174303494 /nfs/dbraw/zinc/30/34/94/174303494.db2.gz AVOFEAXDPCAKGW-UHFFFAOYSA-N 0 0 266.304 2.413 10 30 CEEERN N#Cc1cccc(Cn2cc(Br)c(N)n2)c1 ZINC000040515944 174306978 /nfs/dbraw/zinc/30/69/78/174306978.db2.gz WXUOGJHRWMSRMB-UHFFFAOYSA-N 0 0 277.125 2.148 10 30 CEEERN C=CCNc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-] ZINC000040599077 174349728 /nfs/dbraw/zinc/34/97/28/174349728.db2.gz DEEDLWVTGFWLJU-UHFFFAOYSA-N 0 0 296.290 2.322 10 30 CEEERN CC(C)(C#N)N(C(=O)c1ccc(Cl)nn1)C1CC1 ZINC000040690638 174376919 /nfs/dbraw/zinc/37/69/19/174376919.db2.gz CBMIIZYLILDNCI-UHFFFAOYSA-N 0 0 264.716 2.037 10 30 CEEERN N#Cc1cccc(COC(=O)c2ccc(N)cc2)c1 ZINC000041064675 174467157 /nfs/dbraw/zinc/46/71/57/174467157.db2.gz UYWLLSHGTWTPQH-UHFFFAOYSA-N 0 0 252.273 2.497 10 30 CEEERN C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CCCCC#N)C2=O ZINC000042340044 174691103 /nfs/dbraw/zinc/69/11/03/174691103.db2.gz XYDXQUJPNNEWMQ-VXGBXAGGSA-N 0 0 277.368 2.427 10 30 CEEERN CN(Cc1cc(C#CCO)cs1)C(=O)NC(C)(C)C ZINC000042401451 174710348 /nfs/dbraw/zinc/71/03/48/174710348.db2.gz BWVJHOCKBNROQM-UHFFFAOYSA-N 0 0 280.393 2.032 10 30 CEEERN C[C@@H](CN(C)c1ncc(Cl)cc1Cl)/C(N)=N/O ZINC000042458435 174750232 /nfs/dbraw/zinc/75/02/32/174750232.db2.gz FOEJOISUJDAPET-LURJTMIESA-N 0 0 277.155 2.207 10 30 CEEERN O=C(c1ccc(C#CCO)cc1)N(CC(F)(F)F)C1CC1 ZINC000042797651 174881872 /nfs/dbraw/zinc/88/18/72/174881872.db2.gz CYDLJEIJSKLHHE-UHFFFAOYSA-N 0 0 297.276 2.197 10 30 CEEERN CC(C)N(CC(F)(F)F)C(=O)c1ccc(C#CCO)cc1 ZINC000042797708 174881890 /nfs/dbraw/zinc/88/18/90/174881890.db2.gz JQDQZTWZYFTCIT-UHFFFAOYSA-N 0 0 299.292 2.443 10 30 CEEERN OCC#Cc1ccc(Cn2ccc(C(F)(F)F)n2)c(F)c1 ZINC000043299008 174999801 /nfs/dbraw/zinc/99/98/01/174999801.db2.gz AWFXKCDKWQAGKZ-UHFFFAOYSA-N 0 0 298.239 2.433 10 30 CEEERN Cc1ccc(C#N)c(N(C)Cc2ccccc2N)n1 ZINC000043396037 175036216 /nfs/dbraw/zinc/03/62/16/175036216.db2.gz MEZQIRKOWNFCSL-UHFFFAOYSA-N 0 0 252.321 2.480 10 30 CEEERN Cn1ccnc1SCc1sccc1C#CCO ZINC000043683164 175091432 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179236269 /nfs/dbraw/zinc/23/62/69/179236269.db2.gz SEPJSJKVVQEWBH-UHFFFAOYSA-N 0 0 298.165 2.283 10 30 CEEERN C=C(Br)C[NH2+]CC1CCC(C(=O)[O-])CC1 ZINC000086480650 179301221 /nfs/dbraw/zinc/30/12/21/179301221.db2.gz GWOGJQUSGKDHPX-UHFFFAOYSA-N 0 0 276.174 2.376 10 30 CEEERN C#Cc1cccc(N[C@@H]2CCC[C@H]2S(C)(=O)=O)c1 ZINC000086669385 179316999 /nfs/dbraw/zinc/31/69/99/179316999.db2.gz FLAGJTIMSLSHPV-ZIAGYGMSSA-N 0 0 263.362 2.046 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@H]1Nc1ccc(CC#N)cc1 ZINC000086673662 179317852 /nfs/dbraw/zinc/31/78/52/179317852.db2.gz TXVPYTZXLPDAJX-KGLIPLIRSA-N 0 0 278.377 2.130 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@]1(C#N)NC1CCCCCC1 ZINC000086677692 179319402 /nfs/dbraw/zinc/31/94/02/179319402.db2.gz VVFYOSZJGINHLF-UONOGXRCSA-N 0 0 284.425 2.158 10 30 CEEERN C[C@H]1CCC[C@](O)(CNC(=O)c2ccc(C#N)cc2)C1 ZINC000087071486 179392041 /nfs/dbraw/zinc/39/20/41/179392041.db2.gz OHXCOVIASGBPCS-BLLLJJGKSA-N 0 0 272.348 2.229 10 30 CEEERN Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H]2CCC[C@H]21 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ZINC000107925054 186198133 /nfs/dbraw/zinc/19/81/33/186198133.db2.gz SGBUSDXUXBUKDK-YIONKMFJSA-N 0 0 260.312 2.185 10 30 CEEERN C#CCNCC(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000092493336 180396810 /nfs/dbraw/zinc/39/68/10/180396810.db2.gz UIJXCENORSFBNP-LBPRGKRZSA-N 0 0 260.337 2.025 10 30 CEEERN C[C@H]1COC[C@H](C)N1C(=O)CSc1ccc(C#N)cc1 ZINC000130662431 365977545 /nfs/dbraw/zinc/97/75/45/365977545.db2.gz QTFZEVFJFOWBSG-RYUDHWBXSA-N 0 0 290.388 2.286 10 30 CEEERN CNC(=O)c1ccc(N)c(Oc2cccc(C#N)c2)c1 ZINC000109533914 186259804 /nfs/dbraw/zinc/25/98/04/186259804.db2.gz MONVXQVMWOSLDN-UHFFFAOYSA-N 0 0 267.288 2.292 10 30 CEEERN Cc1noc(C)c1C(=O)Nc1ccc(C)c(C#CCO)c1 ZINC000109433904 186252533 /nfs/dbraw/zinc/25/25/33/186252533.db2.gz YHBHJQODUTZFKE-UHFFFAOYSA-N 0 0 284.315 2.196 10 30 CEEERN CCC[C@H](C#N)N1CCN(C(=O)OCC(C)C)CC1 ZINC000109448795 186253027 /nfs/dbraw/zinc/25/30/27/186253027.db2.gz FCLKDCFORZMRKD-CYBMUJFWSA-N 0 0 267.373 2.089 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000109448624 186253399 /nfs/dbraw/zinc/25/33/99/186253399.db2.gz GEVQPDJUYVBUGZ-OAHLLOKOSA-N 0 0 286.379 2.447 10 30 CEEERN CC(C)(C#N)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000109459611 186253701 /nfs/dbraw/zinc/25/37/01/186253701.db2.gz JJGXLNWWPUGYRD-UHFFFAOYSA-N 0 0 288.351 2.015 10 30 CEEERN CC[C@H](C#N)N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000109454454 186254490 /nfs/dbraw/zinc/25/44/90/186254490.db2.gz URHQEWKUEZNEJL-CQSZACIVSA-N 0 0 291.370 2.254 10 30 CEEERN C=CCN[C@@H](C(=O)OC)c1ccc(OC)c(OC)c1Cl ZINC000110830629 186327072 /nfs/dbraw/zinc/32/70/72/186327072.db2.gz VLPDLWGDUOKPBW-GFCCVEGCSA-N 0 0 299.754 2.347 10 30 CEEERN CS(=O)(=O)CCS[C@H](CC#N)c1ccccc1 ZINC000111004804 186341461 /nfs/dbraw/zinc/34/14/61/186341461.db2.gz TUHPCHNEKYJTEZ-GFCCVEGCSA-N 0 0 269.391 2.419 10 30 CEEERN Cc1ccc(C#N)cc1NS(=O)(=O)C(C)(C)C ZINC000111072399 186350557 /nfs/dbraw/zinc/35/05/57/186350557.db2.gz IKKBMANEZGUWEJ-UHFFFAOYSA-N 0 0 252.339 2.407 10 30 CEEERN CCc1nn(-c2nc(C)cc(C)n2)c(Cl)c1C#N ZINC000111467256 186419550 /nfs/dbraw/zinc/41/95/50/186419550.db2.gz MXSOGKDRUGKIJF-UHFFFAOYSA-N 0 0 261.716 2.367 10 30 CEEERN COCc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1C#N ZINC000111467151 186420153 /nfs/dbraw/zinc/42/01/53/186420153.db2.gz DVUXLKLHVTTZLU-UHFFFAOYSA-N 0 0 292.682 2.452 10 30 CEEERN N#Cc1cc(N)ccc1NCCOCC(F)(F)F ZINC000111635932 186435154 /nfs/dbraw/zinc/43/51/54/186435154.db2.gz YTMOWURFXCRUSD-UHFFFAOYSA-N 0 0 259.231 2.131 10 30 CEEERN C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)cn1 ZINC000111397638 186412253 /nfs/dbraw/zinc/41/22/53/186412253.db2.gz MTWPLHXJUMAOMB-LBPRGKRZSA-N 0 0 265.316 2.314 10 30 CEEERN C#CCn1c(N)c(-c2cncn2C)nc1C1CCCC1 ZINC000116801664 186725512 /nfs/dbraw/zinc/72/55/12/186725512.db2.gz WLOJULSISZPQQL-UHFFFAOYSA-N 0 0 269.352 2.157 10 30 CEEERN COC(=O)C#Cc1cc(F)cc(Br)c1 ZINC000070835070 363103298 /nfs/dbraw/zinc/10/32/98/363103298.db2.gz KDCFBOYIEKVBEJ-UHFFFAOYSA-N 0 0 257.058 2.113 10 30 CEEERN C=CCN(C)C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161869822 188549136 /nfs/dbraw/zinc/54/91/36/188549136.db2.gz FGZDJYVDKJLWAX-NEPJUHHUSA-N 0 0 282.384 2.324 10 30 CEEERN COC(=O)[C@H]1O[C@]1(C)c1ccc(Br)cc1F ZINC000132279725 540161758 /nfs/dbraw/zinc/16/17/58/540161758.db2.gz LPFXIIGQPQSLAE-MWLCHTKSSA-N 0 0 289.100 2.375 10 30 CEEERN COC(=O)Cc1cc(OC(F)(F)F)cc(C#N)c1F ZINC000575390547 366267433 /nfs/dbraw/zinc/26/74/33/366267433.db2.gz WAKGWCDLJIBDHE-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN CCOC(=O)c1c(O)ccc(OC(F)(F)F)c1C#N ZINC000575391935 366269641 /nfs/dbraw/zinc/26/96/41/366269641.db2.gz WVWZKFZPBNSPDI-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1C=O ZINC000575391847 366269928 /nfs/dbraw/zinc/26/99/28/366269928.db2.gz XHKWGSVHVLVDQN-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)c(OC)cc1C#N ZINC000575394915 366274822 /nfs/dbraw/zinc/27/48/22/366274822.db2.gz SSOHSPZIJLVOGQ-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN N#CCc1cc(C#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575640163 366308538 /nfs/dbraw/zinc/30/85/38/366308538.db2.gz FRSYWPKEESKHKQ-UHFFFAOYSA-N 0 0 253.164 2.134 10 30 CEEERN CCOC(=O)Cc1c(C#N)c(OCC)ccc1OCC ZINC000575671745 366323653 /nfs/dbraw/zinc/32/36/53/366323653.db2.gz WPQNKAAGNWXEAA-UHFFFAOYSA-N 0 0 277.320 2.461 10 30 CEEERN CCOc1c(C#N)ccc([N+](=O)[O-])c1OC(F)F ZINC000575657969 366318054 /nfs/dbraw/zinc/31/80/54/366318054.db2.gz NUZNXUJMVRPRNF-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN CCOc1c(C#N)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575658549 366318954 /nfs/dbraw/zinc/31/89/54/366318954.db2.gz PZNLSPOVHCTGND-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN CCOc1c(C#N)c([N+](=O)[O-])ccc1OC(F)F ZINC000575658765 366318958 /nfs/dbraw/zinc/31/89/58/366318958.db2.gz RVRPZDCHXVNCBO-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN N#CCc1ccc(Br)c([N+](=O)[O-])c1N ZINC000575714166 366341373 /nfs/dbraw/zinc/34/13/73/366341373.db2.gz CPRHJDCDYGBOEN-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN N#CCc1cc(I)cc(O)c1F ZINC000575702304 366335492 /nfs/dbraw/zinc/33/54/92/366335492.db2.gz CPBHSGQFDQCNBA-UHFFFAOYSA-N 0 0 277.036 2.202 10 30 CEEERN N#Cc1cc(N)c(I)cc1Cl ZINC000575720051 366345299 /nfs/dbraw/zinc/34/52/99/366345299.db2.gz DAUBIAMYNYCDBV-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN Cc1ccc(S(=O)(=O)n2ccc3c2nccc3C#N)cc1 ZINC000079034094 363568571 /nfs/dbraw/zinc/56/85/71/363568571.db2.gz NUMXATTZBJKUED-UHFFFAOYSA-N 0 0 297.339 2.453 10 30 CEEERN N#Cc1cnc(N2CCc3c(F)ccc(F)c3C2)cn1 ZINC000126682005 283234500 /nfs/dbraw/zinc/23/45/00/283234500.db2.gz PGVAVOHWHNFAGF-UHFFFAOYSA-N 0 0 272.258 2.189 10 30 CEEERN CCNC(=O)[C@@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 ZINC000302121009 535392082 /nfs/dbraw/zinc/39/20/82/535392082.db2.gz UIFYDCYEXQBTRY-OAHLLOKOSA-N 0 0 299.374 2.113 10 30 CEEERN N#Cc1ccc(NCCn2ccnn2)c(Br)c1 ZINC000136310494 366508806 /nfs/dbraw/zinc/50/88/06/366508806.db2.gz NBUJYXUDLMXWJV-UHFFFAOYSA-N 0 0 292.140 2.024 10 30 CEEERN C#CC(=O)C[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000685960400 540659597 /nfs/dbraw/zinc/65/95/97/540659597.db2.gz IYJUOWCTCQGAMC-NSHDSACASA-N 0 0 251.326 2.130 10 30 CEEERN C=CC(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000685958835 540657740 /nfs/dbraw/zinc/65/77/40/540657740.db2.gz CBRIIGOUISUFCA-MRVPVSSYSA-N 0 0 261.268 2.386 10 30 CEEERN CC(C)c1nnc2n1C[C@@H](Nc1ccc(C#N)nc1)CC2 ZINC000176890936 189013470 /nfs/dbraw/zinc/01/34/70/189013470.db2.gz RGKIBJBBNZJNDU-ZDUSSCGKSA-N 0 0 282.351 2.095 10 30 CEEERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(C#N)cs1 ZINC000177554683 189057264 /nfs/dbraw/zinc/05/72/64/189057264.db2.gz WOPZFUOJGZBKMP-SECBINFHSA-N 0 0 294.376 2.422 10 30 CEEERN N#Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000178317411 189106901 /nfs/dbraw/zinc/10/69/01/189106901.db2.gz DJSOBCGWMIPSOD-OCCSQVGLSA-N 0 0 273.336 2.231 10 30 CEEERN Oc1ccccc1/C=N/NC(=S)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000000137926 361133200 /nfs/dbraw/zinc/13/32/00/361133200.db2.gz AAIIZTWLPBIJGA-ZCKLPDCYSA-N 0 0 287.388 2.155 10 30 CEEERN C[C@@]1(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC(=O)O1 ZINC000000163758 361138587 /nfs/dbraw/zinc/13/85/87/361138587.db2.gz CLFNMMZWWBGEOG-GBXSZLQWSA-N 0 0 275.260 2.273 10 30 CEEERN N#Cc1cc(F)ccc1NCCCCn1cnnc1 ZINC000301459357 201015981 /nfs/dbraw/zinc/01/59/81/201015981.db2.gz INGMVWCPMJQONY-UHFFFAOYSA-N 0 0 259.288 2.181 10 30 CEEERN CCS[C@@H]1CC[C@]1(O)CNc1nnc(C)c(C)c1C#N ZINC000301498698 201031434 /nfs/dbraw/zinc/03/14/34/201031434.db2.gz VSGNRKDYQBZUCU-OCCSQVGLSA-N 0 0 292.408 2.024 10 30 CEEERN Cc1cccc(NC(=O)CCNc2cccc(C#N)n2)n1 ZINC000301820808 201216319 /nfs/dbraw/zinc/21/63/19/201216319.db2.gz GMTVYWNPRBCBOE-UHFFFAOYSA-N 0 0 281.319 2.097 10 30 CEEERN CC(=O)c1ccc(C#N)c(N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000302103014 201341573 /nfs/dbraw/zinc/34/15/73/201341573.db2.gz LZOCCOOWQWYWEF-HNNXBMFYSA-N 0 0 294.358 2.488 10 30 CEEERN CCOC(=O)C[C@@H](C)N(C)c1snc(Cl)c1C#N ZINC000302142298 201363373 /nfs/dbraw/zinc/36/33/73/201363373.db2.gz JUECYUGFYQSTOX-SSDOTTSWSA-N 0 0 287.772 2.446 10 30 CEEERN C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089159869 363940342 /nfs/dbraw/zinc/94/03/42/363940342.db2.gz DXCCHCXDWVGOHJ-JSGCOSHPSA-N 0 0 275.348 2.142 10 30 CEEERN N#CCn1ncc2cc(F)c(Br)cc21 ZINC000089197560 363948395 /nfs/dbraw/zinc/94/83/95/363948395.db2.gz SKYKIPIXEQESEK-UHFFFAOYSA-N 0 0 254.062 2.461 10 30 CEEERN CCc1nc2n(n1)CCC[C@@H]2NCc1ccc(C#N)cc1 ZINC000088757571 363921723 /nfs/dbraw/zinc/92/17/23/363921723.db2.gz NIHHBOQBZMLXFO-AWEZNQCLSA-N 0 0 281.363 2.337 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000093655759 364211567 /nfs/dbraw/zinc/21/15/67/364211567.db2.gz LRZRRFBJTJJAEV-UFBFGSQYSA-N 0 0 277.255 2.156 10 30 CEEERN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)COC ZINC000103387514 364647265 /nfs/dbraw/zinc/64/72/65/364647265.db2.gz NEKLTLPQWXBRDA-GFCCVEGCSA-N 0 0 263.312 2.070 10 30 CEEERN N#Cc1ccc(F)cc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000160302617 366992116 /nfs/dbraw/zinc/99/21/16/366992116.db2.gz WPBIVIAQBPUNQX-ZDUSSCGKSA-N 0 0 299.353 2.201 10 30 CEEERN N#Cc1ccc(Oc2ccc3c(c2)CCC3=O)nn1 ZINC000302558399 201479023 /nfs/dbraw/zinc/47/90/23/201479023.db2.gz SOYKCFMXFHLYBE-UHFFFAOYSA-N 0 0 251.245 2.269 10 30 CEEERN N#Cc1ccc2ncc(CN3CCO[C@@H]4CCCC[C@H]43)n2c1 ZINC000245542857 370836154 /nfs/dbraw/zinc/83/61/54/370836154.db2.gz QFJMPLQYXZXZLX-HZPDHXFCSA-N 0 0 296.374 2.349 10 30 CEEERN Cc1cc(C#N)cc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000343045885 367644001 /nfs/dbraw/zinc/64/40/01/367644001.db2.gz PBHLVDYNTODXFD-DABQJJPHSA-N 0 0 259.353 2.299 10 30 CEEERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(C#N)cn1 ZINC000172974567 367852602 /nfs/dbraw/zinc/85/26/02/367852602.db2.gz QZERLDWNDWCIRE-ZDUSSCGKSA-N 0 0 295.342 2.288 10 30 CEEERN CCc1nnc(NCCCc2cc[nH]n2)c(C#N)c1CC ZINC000302745224 201536214 /nfs/dbraw/zinc/53/62/14/201536214.db2.gz DXLASUBZDHEYST-UHFFFAOYSA-N 0 0 284.367 2.241 10 30 CEEERN C=C(C)CNC(=O)N[C@H](C)COCc1ccccc1 ZINC000187838454 369233418 /nfs/dbraw/zinc/23/34/18/369233418.db2.gz XOCKFZYAJZZFDB-CYBMUJFWSA-N 0 0 262.353 2.467 10 30 CEEERN C=CCCO[C@H](C)C(=O)N[C@H]1COc2ccccc21 ZINC000194890608 370086286 /nfs/dbraw/zinc/08/62/86/370086286.db2.gz IMZSHMQRXYWJOC-YPMHNXCESA-N 0 0 261.321 2.218 10 30 CEEERN N#Cc1cccc([S@](=O)c2ccc(CO)cc2)c1 ZINC000215715751 370179918 /nfs/dbraw/zinc/17/99/18/370179918.db2.gz AUDUSXDLTIUTAT-GOSISDBHSA-N 0 0 257.314 2.217 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1 ZINC000215826138 370180542 /nfs/dbraw/zinc/18/05/42/370180542.db2.gz DHAQFVCHYRFSMG-UHFFFAOYSA-N 0 0 259.183 2.172 10 30 CEEERN N#C/C(=N\OCc1csc(N)n1)c1ccccc1 ZINC000218877766 370213954 /nfs/dbraw/zinc/21/39/54/370213954.db2.gz SOASNTCERDXHQW-LFIBNONCSA-N 0 0 258.306 2.170 10 30 CEEERN C[C@H]1CCCCN1c1ccc(C(=O)NO)cc1[N+](=O)[O-] ZINC000226289659 370333184 /nfs/dbraw/zinc/33/31/84/370333184.db2.gz NAUZNVXOIVZVMA-VIFPVBQESA-N 0 0 279.296 2.093 10 30 CEEERN Cc1cnc([C@H](C)Nc2nccc(C#N)c2[N+](=O)[O-])o1 ZINC000226548089 370346343 /nfs/dbraw/zinc/34/63/43/370346343.db2.gz JYWPSOWSYMAMME-QMMMGPOBSA-N 0 0 273.252 2.331 10 30 CEEERN 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CCC(CC)(COc1ccccc1C#N)CS(N)(=O)=O ZINC000086520722 179305653 /nfs/dbraw/zinc/30/56/53/179305653.db2.gz BRRYNIOQGBPAKZ-UHFFFAOYSA-N 0 0 296.392 2.032 10 30 CEEERN Cc1c(-c2nc3cc(C#N)ccc3n2C)cnn1C ZINC000086635008 179315271 /nfs/dbraw/zinc/31/52/71/179315271.db2.gz ZAOUEWWHWBNFFS-UHFFFAOYSA-N 0 0 251.293 2.154 10 30 CEEERN Cc1nn(C)c(NCC2(O)CCC(C)(C)CC2)c1C#N ZINC000087066929 179390990 /nfs/dbraw/zinc/39/09/90/179390990.db2.gz JLKKVMHJUCYVIF-UHFFFAOYSA-N 0 0 276.384 2.343 10 30 CEEERN Cc1ccc(C#CCO)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000087745831 179480081 /nfs/dbraw/zinc/48/00/81/179480081.db2.gz IQQQUIOSLQRYOS-KBPBESRZSA-N 0 0 285.387 2.457 10 30 CEEERN N#C[C@@]1([C@@H]2CS(=O)(=O)c3ccccc32)CCCCC1=O ZINC000087931112 179525816 /nfs/dbraw/zinc/52/58/16/179525816.db2.gz SYUSEIZAJXXKNO-IUODEOHRSA-N 0 0 289.356 2.211 10 30 CEEERN CCOC(=O)N1CCOCC[C@H]1c1ccc(C#N)cc1 ZINC000616656870 348550484 /nfs/dbraw/zinc/55/04/84/348550484.db2.gz IUAKVMBATYQPSS-AWEZNQCLSA-N 0 0 274.320 2.478 10 30 CEEERN 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CEEERN C=CCOc1ccc(C(=O)NC[C@H](O)C(C)(C)C)cc1 ZINC000305107130 332983679 /nfs/dbraw/zinc/98/36/79/332983679.db2.gz BQZMPTTWCMPDNE-AWEZNQCLSA-N 0 0 277.364 2.388 10 30 CEEERN C=C[C@@](C)(CC)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000248901257 334321370 /nfs/dbraw/zinc/32/13/70/334321370.db2.gz HGMRJPCFNMVYNT-ZFWWWQNUSA-N 0 0 250.386 2.285 10 30 CEEERN COC[C@H](C)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153176127 334565670 /nfs/dbraw/zinc/56/56/70/334565670.db2.gz VIPOAGSHVRDLPR-GXTWGEPZSA-N 0 0 260.337 2.430 10 30 CEEERN CC(C)N[C@](C#N)(COc1ccccc1CO)C1CC1 ZINC000069089515 519739317 /nfs/dbraw/zinc/73/93/17/519739317.db2.gz QRFMLTZWDSIOPA-MRXNPFEDSA-N 0 0 274.364 2.228 10 30 CEEERN CCOC(C)=NOS(=O)(=O)c1ccc(C)cc1 ZINC000255004196 521627455 /nfs/dbraw/zinc/62/74/55/521627455.db2.gz SKZAZOFQMZCYJD-UHFFFAOYSA-N 0 0 257.311 2.070 10 30 CEEERN O=C(Nc1ccc(C#CCCO)cc1)[C@@H]1CCSC1 ZINC000070437882 518200896 /nfs/dbraw/zinc/20/08/96/518200896.db2.gz XJLYLYTYOXRCNH-CYBMUJFWSA-N 0 0 275.373 2.112 10 30 CEEERN 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CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C#N ZINC000062211701 521966324 /nfs/dbraw/zinc/96/63/24/521966324.db2.gz SJOMXBKODBJBIA-QWRGUYRKSA-N 0 0 297.399 2.344 10 30 CEEERN CN[C@@H](C#N)CCOc1cccc2c1OC(C)(C)C2 ZINC000062445748 522319289 /nfs/dbraw/zinc/31/92/89/522319289.db2.gz KXWTUGYGVJTEOS-GFCCVEGCSA-N 0 0 260.337 2.281 10 30 CEEERN CN[C@@H](C#N)CCSc1ncnc2ccccc21 ZINC000062457102 522319569 /nfs/dbraw/zinc/31/95/69/522319569.db2.gz BDBIENVSNQTYCZ-SNVBAGLBSA-N 0 0 258.350 2.224 10 30 CEEERN CN(C)c1nc(Cl)nc(NCc2cccc(C#N)c2)n1 ZINC000061542155 522324623 /nfs/dbraw/zinc/32/46/23/522324623.db2.gz ORYLNEQTKRNYEG-UHFFFAOYSA-N 0 0 288.742 2.075 10 30 CEEERN CN(CC(=O)N1CCCC1)[C@H](CC#N)c1ccccc1 ZINC000055020398 522432803 /nfs/dbraw/zinc/43/28/03/522432803.db2.gz CLSLYPDGNZYABY-OAHLLOKOSA-N 0 0 271.364 2.196 10 30 CEEERN CN[C@H](C#N)CCOc1cccc2c1OC(C)(C)C2 ZINC000062445744 522434385 /nfs/dbraw/zinc/43/43/85/522434385.db2.gz KXWTUGYGVJTEOS-LBPRGKRZSA-N 0 0 260.337 2.281 10 30 CEEERN 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C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccnc(C#N)c1 ZINC000068756790 523215928 /nfs/dbraw/zinc/21/59/28/523215928.db2.gz NGCZHIDGZWJUMC-UHFFFAOYSA-N 0 0 281.315 2.283 10 30 CEEERN CCn1c(Sc2c(C#N)cnc3ccccc32)n[nH]c1=O ZINC000061595296 523246662 /nfs/dbraw/zinc/24/66/62/523246662.db2.gz PFTZGFSHFLYHJT-UHFFFAOYSA-N 0 0 297.343 2.162 10 30 CEEERN CN(Cc1ccncc1)C(=O)[C@H](C#N)c1ccccc1 ZINC000061614535 523459802 /nfs/dbraw/zinc/45/98/02/523459802.db2.gz LLYMRLNPONRIBV-OAHLLOKOSA-N 0 0 265.316 2.347 10 30 CEEERN CN(Cc1ccoc1)S(=O)(=O)Cc1ccccc1C#N ZINC000048554983 523476797 /nfs/dbraw/zinc/47/67/97/523476797.db2.gz IDIWHGKGSYQWPG-UHFFFAOYSA-N 0 0 290.344 2.113 10 30 CEEERN CCn1ccnc1COc1ccc(C#N)cc1OC ZINC000052345198 523542073 /nfs/dbraw/zinc/54/20/73/523542073.db2.gz WBBBIJVHOAFMBN-UHFFFAOYSA-N 0 0 257.293 2.362 10 30 CEEERN CN(c1cccc(C#N)c1)c1ccc(C(N)=O)cc1N ZINC000061979867 523644515 /nfs/dbraw/zinc/64/45/15/523644515.db2.gz UUANILNMWIMBRN-UHFFFAOYSA-N 0 0 266.304 2.007 10 30 CEEERN COc1ccc(C(=O)NCCCC(C)C)cc1C#CCO ZINC000062101795 523692458 /nfs/dbraw/zinc/69/24/58/523692458.db2.gz KVWLRMQYRCNNKJ-UHFFFAOYSA-N 0 0 289.375 2.205 10 30 CEEERN COC(=O)[C@H](CC(C)C)NCc1cc(F)ccc1C#N ZINC000069401646 523896142 /nfs/dbraw/zinc/89/61/42/523896142.db2.gz UBCBXBKEACUBCT-AWEZNQCLSA-N 0 0 278.327 2.375 10 30 CEEERN Cc1ccc(C)c(S(=O)(=O)N(CC#N)C(C)C)c1 ZINC000057554620 524187263 /nfs/dbraw/zinc/18/72/63/524187263.db2.gz MJFTUEXBQJSDPE-UHFFFAOYSA-N 0 0 266.366 2.226 10 30 CEEERN C[C@@H](CC#N)N(C)CC(=O)c1ccc2c(c1)CCO2 ZINC000063087585 524338307 /nfs/dbraw/zinc/33/83/07/524338307.db2.gz GKWWYLWDYARQPK-NSHDSACASA-N 0 0 258.321 2.038 10 30 CEEERN COc1ccc(N)cc1C(=O)N(C)c1cccc(C#N)c1 ZINC000061957715 524374147 /nfs/dbraw/zinc/37/41/47/524374147.db2.gz YWLGFXFGFLIJKH-UHFFFAOYSA-N 0 0 281.315 2.426 10 30 CEEERN C[C@H]1CC[C@H](C#N)[C@H](N2CCN(CC(F)(F)F)CC2)C1 ZINC000061941356 524376780 /nfs/dbraw/zinc/37/67/80/524376780.db2.gz AKPVHOMGMWHCRA-YNEHKIRRSA-N 0 0 289.345 2.495 10 30 CEEERN 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N#C[C@H]1CCC[C@@H]1NC(=O)CCOc1ccccc1 ZINC000061888868 526513436 /nfs/dbraw/zinc/51/34/36/526513436.db2.gz URPDWORSOFUGPY-OCCSQVGLSA-N 0 0 258.321 2.264 10 30 CEEERN N#Cc1cc(CN2C(=O)C(=O)c3cc(Cl)ccc32)ccn1 ZINC000068756044 526547799 /nfs/dbraw/zinc/54/77/99/526547799.db2.gz IWJXZBNHGIUDDJ-UHFFFAOYSA-N 0 0 297.701 2.336 10 30 CEEERN N#Cc1cc(Cn2ccnc2-c2cccc(N)c2)ccn1 ZINC000068755265 526556439 /nfs/dbraw/zinc/55/64/39/526556439.db2.gz UKPZOCCJBHLTLA-UHFFFAOYSA-N 0 0 275.315 2.447 10 30 CEEERN N#Cc1ccc(Cl)cc1N1CCCC[C@@H]1C(N)=O ZINC000062790018 526633442 /nfs/dbraw/zinc/63/34/42/526633442.db2.gz DQGLLGGFZXEMFL-LLVKDONJSA-N 0 0 263.728 2.056 10 30 CEEERN Cc1nc(C(=O)Nc2ccccc2CO)ccc1C#N ZINC000049361932 526658501 /nfs/dbraw/zinc/65/85/01/526658501.db2.gz OZTVIGGEOCSNHP-UHFFFAOYSA-N 0 0 267.288 2.006 10 30 CEEERN O=C(c1ccc(C#CCCO)cc1F)N1C[C@H]2CC[C@@H]1C2 ZINC000049725193 526664102 /nfs/dbraw/zinc/66/41/02/526664102.db2.gz GSDCOHGJSZWZNX-UONOGXRCSA-N 0 0 287.334 2.184 10 30 CEEERN N#Cc1ccccc1NCC(=O)N1CCCCCC1 ZINC000060362116 526744377 /nfs/dbraw/zinc/74/43/77/526744377.db2.gz DPYKEZWBVGFOOB-UHFFFAOYSA-N 0 0 257.337 2.373 10 30 CEEERN N#Cc1ccccc1NCc1nnnn1-c1ccccc1 ZINC000048694091 526744419 /nfs/dbraw/zinc/74/44/19/526744419.db2.gz AHJCVEWDDFJWAC-UHFFFAOYSA-N 0 0 276.303 2.146 10 30 CEEERN N#Cc1ncccc1CN1CCCc2cc(N)ccc21 ZINC000061659252 526789869 /nfs/dbraw/zinc/78/98/69/526789869.db2.gz XGMVIOLQRIGJNS-UHFFFAOYSA-N 0 0 264.332 2.488 10 30 CEEERN O=C(NCc1ccsc1)c1cc(F)ccc1C#CCO ZINC000063151440 526802324 /nfs/dbraw/zinc/80/23/24/526802324.db2.gz VNRRVRFCVMIIDX-UHFFFAOYSA-N 0 0 289.331 2.161 10 30 CEEERN N/C(=N/O)c1ccccc1OCCc1cccs1 ZINC000049585635 526803404 /nfs/dbraw/zinc/80/34/04/526803404.db2.gz FMUKHEOFOQFMDC-UHFFFAOYSA-N 0 0 262.334 2.464 10 30 CEEERN O=C(Nc1cc(C#CCO)ccc1Cl)[C@@H]1CCCCO1 ZINC000061691616 527102697 /nfs/dbraw/zinc/10/26/97/527102697.db2.gz ZEISLFPFQCLESW-AWEZNQCLSA-N 0 0 293.750 2.191 10 30 CEEERN O=C(Nc1nc2c(s1)CCC2)c1ccc(C#CCO)cc1 ZINC000049549289 527510957 /nfs/dbraw/zinc/51/09/57/527510957.db2.gz QXZGXENXZACLGG-UHFFFAOYSA-N 0 0 298.367 2.228 10 30 CEEERN OCC#Cc1cc(F)ccc1COCc1ccco1 ZINC000049619966 527517484 /nfs/dbraw/zinc/51/74/84/527517484.db2.gz BHNZMERVTODJEM-UHFFFAOYSA-N 0 0 260.264 2.479 10 30 CEEERN OCCC#Cc1cccc(OCCc2cccnc2)c1 ZINC000063223742 527531868 /nfs/dbraw/zinc/53/18/68/527531868.db2.gz HBJXVNUKCIRMHB-UHFFFAOYSA-N 0 0 267.328 2.437 10 30 CEEERN CN1CCCc2cc([C@H](O)C3(C#N)CCOCC3)ccc21 ZINC000091880712 536398089 /nfs/dbraw/zinc/39/80/89/536398089.db2.gz MAMOPNCSPPTQND-INIZCTEOSA-N 0 0 286.375 2.423 10 30 CEEERN Cc1nn(C2CCC(C)CC2)cc1COS(C)(=O)=O ZINC000757196360 574512287 /nfs/dbraw/zinc/51/22/87/574512287.db2.gz RRJMHIIXPWSLOY-UHFFFAOYSA-N 0 0 286.397 2.419 10 30 CEEERN CC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000234104696 623158844 /nfs/dbraw/zinc/15/88/44/623158844.db2.gz YIIAEHVNCPLNEG-UONOGXRCSA-N 0 0 269.304 2.184 10 30 CEEERN C#C[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 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ZINC000110913225 186332610 /nfs/dbraw/zinc/33/26/10/186332610.db2.gz ZHEOAQJTJYTKKE-UHFFFAOYSA-N 0 0 270.317 2.079 10 30 CEEERN CCCc1nc(Cn2c3ccccc3nc2CC#N)no1 ZINC000110949988 186335247 /nfs/dbraw/zinc/33/52/47/186335247.db2.gz HHRLGDJJGWAGJJ-UHFFFAOYSA-N 0 0 281.319 2.486 10 30 CEEERN CC(C)(C)S(=O)(=O)NC1(C#N)CCCCCC1 ZINC000111072383 186350979 /nfs/dbraw/zinc/35/09/79/186350979.db2.gz YYGIBDYSTQEZCM-UHFFFAOYSA-N 0 0 258.387 2.321 10 30 CEEERN CCCN[C@@](C)(C#N)CCCOCCOCCC ZINC000111110215 186353386 /nfs/dbraw/zinc/35/33/86/186353386.db2.gz WGUZAVRHHROLNQ-CQSZACIVSA-N 0 0 256.390 2.492 10 30 CEEERN O=C(NCC1CCCC1)c1sccc1C#CCO ZINC000111531911 186427377 /nfs/dbraw/zinc/42/73/77/186427377.db2.gz VNMMISKXSREHLC-UHFFFAOYSA-N 0 0 263.362 2.012 10 30 CEEERN N#Cc1cc(-c2ccccn2)[n+]([O-])c(-c2ccccn2)c1 ZINC000238809067 283085740 /nfs/dbraw/zinc/08/57/40/283085740.db2.gz IIKMQBVCZVLERY-UHFFFAOYSA-N 0 0 274.283 2.316 10 30 CEEERN C=CCOCCCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000173298772 188849143 /nfs/dbraw/zinc/84/91/43/188849143.db2.gz MIKWFWUZSGKGFU-GFCCVEGCSA-N 0 0 296.392 2.026 10 30 CEEERN COC(=O)Cc1c(C#N)c(C=O)ccc1C(F)(F)F ZINC000575391727 366269679 /nfs/dbraw/zinc/26/96/79/366269679.db2.gz RFKCWIWDMSVBDZ-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)c1cc(O)cc(C#N)c1C(F)(F)F ZINC000575391992 366269764 /nfs/dbraw/zinc/26/97/64/366269764.db2.gz KADYJNZCJVVOTK-UHFFFAOYSA-N 0 0 259.183 2.459 10 30 CEEERN CCOC(=O)c1cc(OC(F)(F)F)cc(O)c1C#N ZINC000575391934 366269959 /nfs/dbraw/zinc/26/99/59/366269959.db2.gz WTUUDXPJIBUBQU-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN CCOC(=O)Cc1cc(O)c(C#N)c(C(F)(F)F)c1 ZINC000575392375 366270864 /nfs/dbraw/zinc/27/08/64/366270864.db2.gz WRYVWGKDTZZRQK-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)cc1OC ZINC000575393998 366272505 /nfs/dbraw/zinc/27/25/05/366272505.db2.gz CJVPBBNFYNVWID-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575395794 366275812 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/nfs/dbraw/zinc/32/87/11/175328711.db2.gz GJGJKEIQNMWOQL-OAHLLOKOSA-N 0 0 278.352 2.363 10 30 CEEERN COc1cccc(OC)c1OC[C@](C)(C#N)NC(C)C ZINC000045209536 175328764 /nfs/dbraw/zinc/32/87/64/175328764.db2.gz GJGJKEIQNMWOQL-HNNXBMFYSA-N 0 0 278.352 2.363 10 30 CEEERN CCCN[C@@](C)(C#N)CCOc1ccc2c(c1)OCO2 ZINC000045208764 175328798 /nfs/dbraw/zinc/32/87/98/175328798.db2.gz XCJKJZYLDTZQLR-OAHLLOKOSA-N 0 0 276.336 2.466 10 30 CEEERN CCN[C@](C#N)(COCCCOC)c1ccccc1 ZINC000045207320 175329009 /nfs/dbraw/zinc/32/90/09/175329009.db2.gz HNLNGWPXKYWCGC-OAHLLOKOSA-N 0 0 262.353 2.068 10 30 CEEERN CC(C)N[C@@](C#N)(COC[C@@H]1CCOC1)c1ccccc1 ZINC000045215441 175329620 /nfs/dbraw/zinc/32/96/20/175329620.db2.gz ZLEBORLIUIJNDB-WBVHZDCISA-N 0 0 288.391 2.457 10 30 CEEERN CCN[C@@](C)(C#N)CCCn1cc(Br)cn1 ZINC000045322399 175359541 /nfs/dbraw/zinc/35/95/41/175359541.db2.gz DDKCAFPRRSLOJM-LLVKDONJSA-N 0 0 285.189 2.318 10 30 CEEERN C[C@](N)(C#N)CCCCOc1ccc2c(c1)CCC(=O)N2 ZINC000045326955 175359642 /nfs/dbraw/zinc/35/96/42/175359642.db2.gz GTYCYWQPSDGEOJ-MRXNPFEDSA-N 0 0 287.363 2.361 10 30 CEEERN CCCCOCCOCCC[C@@](C)(C#N)NCC ZINC000045324163 175359668 /nfs/dbraw/zinc/35/96/68/175359668.db2.gz LOZWJGLHWMKNHB-AWEZNQCLSA-N 0 0 256.390 2.492 10 30 CEEERN CN[C@@H](C#N)COc1ccc(OC)cc1C(C)(C)C ZINC000045326933 175359895 /nfs/dbraw/zinc/35/98/95/175359895.db2.gz YDKGVAATGUGXGC-NSHDSACASA-N 0 0 262.353 2.483 10 30 CEEERN C[C@@](N)(C#N)CCCCOc1ccc2c(c1)OCO2 ZINC000045326320 175359945 /nfs/dbraw/zinc/35/99/45/175359945.db2.gz FNGHKNFNYUWDTH-AWEZNQCLSA-N 0 0 262.309 2.205 10 30 CEEERN CN[C@](C)(C#N)CCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000045331400 175360046 /nfs/dbraw/zinc/36/00/46/175360046.db2.gz LUCJSESFUHHWNZ-AWEZNQCLSA-N 0 0 293.323 2.264 10 30 CEEERN CCCN[C@H](C#N)COc1cc(F)ccc1[N+](=O)[O-] ZINC000045331325 175360137 /nfs/dbraw/zinc/36/01/37/175360137.db2.gz LPZXAQUQVOEIGJ-SNVBAGLBSA-N 0 0 267.260 2.004 10 30 CEEERN Cc1cccc(OCCC[C@@](C)(N)C#N)c1[N+](=O)[O-] ZINC000045331560 175360197 /nfs/dbraw/zinc/36/01/97/175360197.db2.gz UDOPFTVRFXKSMW-CYBMUJFWSA-N 0 0 263.297 2.303 10 30 CEEERN CCCc1cc(=O)[nH]c(SCCCC[C@@](C)(N)C#N)n1 ZINC000045364259 175362310 /nfs/dbraw/zinc/36/23/10/175362310.db2.gz QMPJVWOYPWMBPZ-CQSZACIVSA-N 0 0 294.424 2.226 10 30 CEEERN CCN[C@@H](C#N)CSc1nc2cc(OC)ccc2[nH]1 ZINC000045364513 175362327 /nfs/dbraw/zinc/36/23/27/175362327.db2.gz RXEBTUBDUNAKOR-VIFPVBQESA-N 0 0 276.365 2.165 10 30 CEEERN OCC#Cc1ccc(Cn2cc(C(F)(F)F)cn2)c(F)c1 ZINC000070467205 175947201 /nfs/dbraw/zinc/94/72/01/175947201.db2.gz BORLTQFFYJPWSW-UHFFFAOYSA-N 0 0 298.239 2.433 10 30 CEEERN N#CCCCCN1C(=O)NC(=O)C12CCCCCC2 ZINC000070509078 175960319 /nfs/dbraw/zinc/96/03/19/175960319.db2.gz GCNYXHGBPCPLEI-UHFFFAOYSA-N 0 0 263.341 2.325 10 30 CEEERN COCCN(CCC#N)C[C@@H]1OCCc2ccccc21 ZINC000071091312 176032120 /nfs/dbraw/zinc/03/21/20/176032120.db2.gz IMVPQYZGYLHBSO-INIZCTEOSA-N 0 0 274.364 2.162 10 30 CEEERN CCCN[C@H](C#N)CCOc1cc(OC)cc(OC)c1 ZINC000071139092 176037687 /nfs/dbraw/zinc/03/76/87/176037687.db2.gz NXUVHZYOYVOQQH-LBPRGKRZSA-N 0 0 278.352 2.364 10 30 CEEERN C[C@H]1CCC[C@@H]1NC(=O)c1cc(C#CCCO)ccc1F ZINC000071210906 176082774 /nfs/dbraw/zinc/08/27/74/176082774.db2.gz WCVKDIBGOFKQPH-LRDDRELGSA-N 0 0 289.350 2.478 10 30 CEEERN COCCN(CCC#N)c1ccc(F)cc1[C@@H](C)O ZINC000071226670 176090041 /nfs/dbraw/zinc/09/00/41/176090041.db2.gz ZWGTYPIMHMGTOW-LLVKDONJSA-N 0 0 266.316 2.245 10 30 CEEERN COCCN(CCC#N)c1cc(F)ccc1[N+](=O)[O-] ZINC000071231200 176092007 /nfs/dbraw/zinc/09/20/07/176092007.db2.gz GNZWTKFRONMOQW-UHFFFAOYSA-N 0 0 267.260 2.100 10 30 CEEERN COCCN(CCC#N)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000071232623 176092459 /nfs/dbraw/zinc/09/24/59/176092459.db2.gz QKNFDJKXPBLDRT-UHFFFAOYSA-N 0 0 284.703 2.010 10 30 CEEERN O=C1CCCCCN1Cc1cc(C#CCCO)ccc1F ZINC000071278306 176107614 /nfs/dbraw/zinc/10/76/14/176107614.db2.gz QGNDYXNIUSPGJF-UHFFFAOYSA-N 0 0 289.350 2.462 10 30 CEEERN Cc1sc(=O)n(CCOc2ccc(C#N)cc2)c1C ZINC000071351497 176134920 /nfs/dbraw/zinc/13/49/20/176134920.db2.gz YVIDNSOYZLMQTD-UHFFFAOYSA-N 0 0 274.345 2.477 10 30 CEEERN CCN(CCC(=O)OC)c1nc2ccccc2cc1C#N ZINC000071386288 176147456 /nfs/dbraw/zinc/14/74/56/176147456.db2.gz GDGHLUAZTLJENX-UHFFFAOYSA-N 0 0 283.331 2.496 10 30 CEEERN CCCN(CC(=O)NC)c1nc2ccccc2cc1C#N ZINC000071389897 176147894 /nfs/dbraw/zinc/14/78/94/176147894.db2.gz OJRUFEGSKNYQKH-UHFFFAOYSA-N 0 0 282.347 2.069 10 30 CEEERN C=CCNC(=O)c1c(CC)nc2c(OCC)cccn21 ZINC000071471582 176185215 /nfs/dbraw/zinc/18/52/15/176185215.db2.gz CVONZGGGBLEZSR-UHFFFAOYSA-N 0 0 273.336 2.211 10 30 CEEERN CCc1cc2c(nc(SC)n(CC#N)c2=O)s1 ZINC000071513258 176192676 /nfs/dbraw/zinc/19/26/76/176192676.db2.gz KXSLTJFFPBIGNU-UHFFFAOYSA-N 0 0 265.363 2.266 10 30 CEEERN C#CCn1cnc2scc(C(=O)OCCCC)c2c1=O ZINC000071525980 176194056 /nfs/dbraw/zinc/19/40/56/176194056.db2.gz KQBKVUJSKDBPOR-UHFFFAOYSA-N 0 0 290.344 2.048 10 30 CEEERN C=CCN(C[C@H](C)C(=O)OC)C(=O)c1cccc(F)c1 ZINC000071608274 176230501 /nfs/dbraw/zinc/23/05/01/176230501.db2.gz QWJARDNLZCPIIE-NSHDSACASA-N 0 0 279.311 2.263 10 30 CEEERN C=CCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(C)cc1 ZINC000071607786 176230606 /nfs/dbraw/zinc/23/06/06/176230606.db2.gz XVLMEDHMVFUNKQ-ZDUSSCGKSA-N 0 0 275.348 2.432 10 30 CEEERN COc1c(C#N)cc(Br)cc1[N+](=O)[O-] ZINC000071623932 176235556 /nfs/dbraw/zinc/23/55/56/176235556.db2.gz PXSKRHUXARJJKC-UHFFFAOYSA-N 0 0 257.043 2.238 10 30 CEEERN COC(=O)CCCN1C(=O)c2c(cccc2Cl)C1C#N ZINC000071678910 176243645 /nfs/dbraw/zinc/24/36/45/176243645.db2.gz UKLGOHFIQOCEQI-LLVKDONJSA-N 0 0 292.722 2.314 10 30 CEEERN C[C@@H](O)CN1C(=O)c2c(ccc3ccccc23)[C@@H]1C#N ZINC000071679877 176244341 /nfs/dbraw/zinc/24/43/41/176244341.db2.gz RBZQVXLIHTTWDH-YGRLFVJLSA-N 0 0 266.300 2.241 10 30 CEEERN C=CCOC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000076847755 177119572 /nfs/dbraw/zinc/11/95/72/177119572.db2.gz JUQSRDAYBRMIDE-QWRGUYRKSA-N 0 0 269.341 2.409 10 30 CEEERN C[C@H](NC(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCCO1 ZINC000077500209 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N#Cc1ncccc1CNCc1ccccc1[N+](=O)[O-] ZINC000061658711 526790369 /nfs/dbraw/zinc/79/03/69/526790369.db2.gz JNNCBOFGISPNHC-UHFFFAOYSA-N 0 0 268.276 2.151 10 30 CEEERN N#Cc1ncccc1C[S@](=O)c1c(F)cc(N)cc1F ZINC000061664096 526791015 /nfs/dbraw/zinc/79/10/15/526791015.db2.gz UNJNWDDYFAQKSJ-HXUWFJFHSA-N 0 0 293.298 2.121 10 30 CEEERN N/C(C[C@H](Sc1ncccn1)c1ccccc1)=N\O ZINC000055022962 526814429 /nfs/dbraw/zinc/81/44/29/526814429.db2.gz GBLRFIKJRFILBG-NSHDSACASA-N 0 0 274.349 2.447 10 30 CEEERN CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000334858341 526944541 /nfs/dbraw/zinc/94/45/41/526944541.db2.gz NVOUCBMKIGEHOQ-GXTWGEPZSA-N 0 0 271.320 2.067 10 30 CEEERN OCC#Cc1ccc(CSc2nnc3ccccn32)cc1 ZINC000061407689 527519371 /nfs/dbraw/zinc/51/93/71/527519371.db2.gz WHIPHUZDVQYLOW-UHFFFAOYSA-N 0 0 295.367 2.365 10 30 CEEERN O=C(Nc1ncc(C#CCO)s1)C1(c2ccccc2)CC1 ZINC000061618390 527519624 /nfs/dbraw/zinc/51/96/24/527519624.db2.gz PPXGHUZXZVAVRZ-UHFFFAOYSA-N 0 0 298.367 2.157 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)NC[C@@H]1CCCC1=O ZINC000330195817 527805425 /nfs/dbraw/zinc/80/54/25/527805425.db2.gz ZVLGFRLISXUWKX-DMDPSCGWSA-N 0 0 253.342 2.373 10 30 CEEERN CC(C)c1nccn1CCC(=O)N[C@H]1CCCNC1=O ZINC000329260367 528367738 /nfs/dbraw/zinc/36/77/38/528367738.db2.gz AOXSXJMHFIYINK-NSHDSACASA-N 0 0 278.356 2.472 10 30 CEEERN CC[C@@H]1CN(C(=O)NCCC2CCOCC2)C[C@H](C)O1 ZINC000329716832 529345897 /nfs/dbraw/zinc/34/58/97/529345897.db2.gz WYDGRPWYPJCWEW-GXTWGEPZSA-N 0 0 284.400 2.216 10 30 CEEERN CC(C)[C@@H](C#N)C(=O)N1CCN(C)c2ccccc21 ZINC000111463590 535123555 /nfs/dbraw/zinc/12/35/55/535123555.db2.gz OHBPXKFEBFBOEL-GFCCVEGCSA-N 0 0 257.337 2.265 10 30 CEEERN COC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1C#N ZINC000254952199 622685300 /nfs/dbraw/zinc/68/53/00/622685300.db2.gz YWOJSXJLDISILY-KVPUOBJLSA-N 0 0 298.342 2.126 10 30 CEEERN C[C@@H](CC#N)N(C)S(=O)(=O)/C=C\c1ccccc1 ZINC000255270373 623492598 /nfs/dbraw/zinc/49/25/98/623492598.db2.gz SSIVQNDXFUPGDV-MMRAYRKESA-N 0 0 264.350 2.221 10 30 CEEERN N#C[C@H]1CCC[C@H]1Nc1nc(Cl)nc2[nH]cnc21 ZINC000892796463 627778022 /nfs/dbraw/zinc/77/80/22/627778022.db2.gz JURGNHWFHFLSBP-RNFRBKRXSA-N 0 0 262.704 2.110 10 30 CEEERN O=C(NC[C@@H]1CCC[C@H]1O)c1coc(C2CCOCC2)n1 ZINC000328710907 627988490 /nfs/dbraw/zinc/98/84/90/627988490.db2.gz AYLMCGFJKAUBBQ-WCQYABFASA-N 0 0 294.351 2.034 10 30 CEEERN C=C(C)COCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000125710015 650016219 /nfs/dbraw/zinc/01/62/19/650016219.db2.gz AAMQOIZEBVBFBG-DHZHZOJOSA-N 0 0 281.377 2.169 10 30 CEEERN C=CCc1ccc(OC(=O)[C@@H]2C[C@@H]2C(=O)OC)c(OC)c1 ZINC000171185298 639704763 /nfs/dbraw/zinc/70/47/63/639704763.db2.gz WDULREVIFLQPFJ-NWDGAFQWSA-N 0 0 290.315 2.138 10 30 CEEERN C#C[C@H](C)OC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000174413346 639923935 /nfs/dbraw/zinc/92/39/35/639923935.db2.gz RUNHPGDPCGXMLC-DZGCQCFKSA-N 0 0 287.359 2.314 10 30 CEEERN CC(C)[C@@H](C#N)OC(=O)Cn1ccc(=O)c2ccccc21 ZINC000121599094 641197682 /nfs/dbraw/zinc/19/76/82/641197682.db2.gz AFUBZBXQDPOLHX-OAHLLOKOSA-N 0 0 284.315 2.093 10 30 CEEERN C[C@@H](OC(=O)CCc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000175275192 641318549 /nfs/dbraw/zinc/31/85/49/641318549.db2.gz DYSLMJSTYNFTNC-IUODEOHRSA-N 0 0 273.332 2.459 10 30 CEEERN COC(=O)N[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccccn1 ZINC000064681537 641337489 /nfs/dbraw/zinc/33/74/89/641337489.db2.gz USYRNJLVFKMZNW-DGCLKSJQSA-N 0 0 289.335 2.029 10 30 CEEERN C#CCOCCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182184817 641629338 /nfs/dbraw/zinc/62/93/38/641629338.db2.gz ISXUKOIQXBRPGD-CXAGYDPISA-N 0 0 271.360 2.384 10 30 CEEERN COC(=O)N[C@@H](C(=O)[C@@H](C#N)c1nc(C)cs1)C(C)C ZINC000108624197 642359265 /nfs/dbraw/zinc/35/92/65/642359265.db2.gz PRFCBCHHFUBOFU-NXEZZACHSA-N 0 0 295.364 2.008 10 30 CEEERN N#Cc1cnn(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1N ZINC000109093916 642580019 /nfs/dbraw/zinc/58/00/19/642580019.db2.gz PPGFZHJULWFVFX-NXEZZACHSA-N 0 0 288.257 2.059 10 30 CEEERN N#Cc1c(I)nccc1OC1CC1 ZINC000095734898 185023037 /nfs/dbraw/zinc/02/30/37/185023037.db2.gz 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260.337 2.276 10 30 CEEERN C=CCN(C(C)=O)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000096775301 185112384 /nfs/dbraw/zinc/11/23/84/185112384.db2.gz RMGVFORLOLDITR-LBPRGKRZSA-N 0 0 290.363 2.447 10 30 CEEERN CSC[C@H](C)CNC(=O)COc1ccccc1C#N ZINC000083412320 178420614 /nfs/dbraw/zinc/42/06/14/178420614.db2.gz HBADUFNPPMRHKV-LLVKDONJSA-N 0 0 278.377 2.052 10 30 CEEERN N#Cc1ccc(I)c(C#N)c1 ZINC000039246504 361987664 /nfs/dbraw/zinc/98/76/64/361987664.db2.gz QJIGLNNVMOARNN-UHFFFAOYSA-N 0 0 254.030 2.035 10 30 CEEERN OCCCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246234 539191864 /nfs/dbraw/zinc/19/18/64/539191864.db2.gz SMDXQRFIEFVXFB-UHFFFAOYSA-N 0 0 279.137 2.449 10 30 CEEERN CO[C@@H](C)c1nc(CN(C)c2cnc(C#N)cn2)cs1 ZINC000126499938 187244447 /nfs/dbraw/zinc/24/44/47/187244447.db2.gz MMFLQSJPBZCGBN-VIFPVBQESA-N 0 0 289.364 2.149 10 30 CEEERN C[C@H](C#N)Oc1ccc(Br)cc1CO ZINC000043517125 362146272 /nfs/dbraw/zinc/14/62/72/362146272.db2.gz NIKISSAUMFYABU-SSDOTTSWSA-N 0 0 256.099 2.232 10 30 CEEERN CCCCOc1ccc(CC(=O)NOC(C)=O)cc1 ZINC000005821580 343355228 /nfs/dbraw/zinc/35/52/28/343355228.db2.gz CYACPJGPSDSRQT-UHFFFAOYSA-N 0 0 265.309 2.002 10 30 CEEERN C=CCN1c2cc(NC(=O)C3CC3)ccc2O[C@H](C)C1=O ZINC000012119768 136378852 /nfs/dbraw/zinc/37/88/52/136378852.db2.gz MJPORVALKBRLJS-SNVBAGLBSA-N 0 0 286.331 2.335 10 30 CEEERN N#Cc1cc(F)cc(NS(=O)(=O)N2CCCCCC2)c1 ZINC000601980161 346948531 /nfs/dbraw/zinc/94/85/31/346948531.db2.gz ZFFGJOHSLPDKDC-UHFFFAOYSA-N 0 0 297.355 2.230 10 30 CEEERN O=C1C=C[C@@H]2C(=O)C(c3ccc(O)cc3)=CO[C@@H]2C1 ZINC000098194043 344247157 /nfs/dbraw/zinc/24/71/57/344247157.db2.gz DMXQMMWGBIMHME-GXTWGEPZSA-N 0 0 256.257 2.329 10 30 CEEERN COC(=O)c1ccc(C#Cc2ccc(N)cc2)cc1 ZINC000113404614 344276935 /nfs/dbraw/zinc/27/69/35/344276935.db2.gz RXZVNIBBBNQKKV-UHFFFAOYSA-N 0 0 251.285 2.455 10 30 CEEERN C#C[C@H](NC)c1ccccc1I ZINC000130094024 344349805 /nfs/dbraw/zinc/34/98/05/344349805.db2.gz RPUUKIXKEONSMS-JTQLQIEISA-N 0 0 271.101 2.185 10 30 CEEERN CC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCC#N ZINC000138188356 344389112 /nfs/dbraw/zinc/38/91/12/344389112.db2.gz UNHLIWXXCKIVPP-UKTHLTGXSA-N 0 0 288.259 2.024 10 30 CEEERN CC(C)(C)COS(=O)(=O)c1cccc(C#N)c1 ZINC000148442491 344413736 /nfs/dbraw/zinc/41/37/36/344413736.db2.gz WWGKNXDNPBQMBW-UHFFFAOYSA-N 0 0 253.323 2.310 10 30 CEEERN C=C(C)[C@H](NN)c1csc(I)c1 ZINC000158854651 344452411 /nfs/dbraw/zinc/45/24/11/344452411.db2.gz OQVLGVBSRHXJAJ-QMMMGPOBSA-N 0 0 294.161 2.433 10 30 CEEERN N#C[C@]1(NCc2ccccc2)CCN2CCCC[C@@H]21 ZINC000169111921 344481547 /nfs/dbraw/zinc/48/15/47/344481547.db2.gz WCHCDBHALKYWHZ-HZPDHXFCSA-N 0 0 255.365 2.297 10 30 CEEERN N#Cc1ccc2[nH]cc(C=C3SC(=O)NC3=O)c2c1 ZINC000215480231 344534164 /nfs/dbraw/zinc/53/41/64/344534164.db2.gz MUVNAIZZNCHHOD-WCIBSUBMSA-N 0 0 269.285 2.363 10 30 CEEERN C=C(Cl)CNc1nnc(Br)s1 ZINC000226145324 344548647 /nfs/dbraw/zinc/54/86/47/344548647.db2.gz VAQHGPBHKCEJMM-UHFFFAOYSA-N 0 0 254.540 2.465 10 30 CEEERN C#CCN(C)c1ccc(C=O)cc1Br ZINC000234253602 344584331 /nfs/dbraw/zinc/58/43/31/344584331.db2.gz VYEIFNODNKNSGW-UHFFFAOYSA-N 0 0 252.111 2.331 10 30 CEEERN N#Cc1cc(I)cc(F)c1F ZINC000238602070 344607187 /nfs/dbraw/zinc/60/71/87/344607187.db2.gz GTTUFLIKRNNXLT-UHFFFAOYSA-N 0 0 265.000 2.441 10 30 CEEERN N#Cc1cccc(I)c1[N+](=O)[O-] ZINC000238583161 344607192 /nfs/dbraw/zinc/60/71/92/344607192.db2.gz ULSQZHWUIFDFIR-UHFFFAOYSA-N 0 0 274.017 2.071 10 30 CEEERN C[C@H](Cc1ccsc1)NC(=O)C#CBr ZINC000307140809 344720228 /nfs/dbraw/zinc/72/02/28/344720228.db2.gz CKIKBFIZLPOVGH-MRVPVSSYSA-N 0 0 272.167 2.151 10 30 CEEERN Cc1nc(-n2cc(C#N)cn2)ccc1Br ZINC000306728695 344716756 /nfs/dbraw/zinc/71/67/56/344716756.db2.gz NSBQUJDRBMLYKA-UHFFFAOYSA-N 0 0 263.098 2.210 10 30 CEEERN C[C@H](OCC1CC1)C(=O)N[C@H]1CCO[C@@H]1c1nccn1C ZINC000328615362 344755524 /nfs/dbraw/zinc/75/55/24/344755524.db2.gz AUTMCLJCMUHTKE-DRZSPHRISA-N 0 0 293.367 2.022 10 30 CEEERN Cc1ncsc1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328620090 344755741 /nfs/dbraw/zinc/75/57/41/344755741.db2.gz GQJVQGIDNYUJPI-SNVBAGLBSA-N 0 0 276.365 2.215 10 30 CEEERN CCn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cnn(C)c1 ZINC000328625751 344756490 /nfs/dbraw/zinc/75/64/90/344756490.db2.gz KYUZJYPXEFEMIA-DGCLKSJQSA-N 0 0 289.339 2.002 10 30 CEEERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)Nc1cccnc1 ZINC000328631085 344756644 /nfs/dbraw/zinc/75/66/44/344756644.db2.gz QOHQTERSVRVTDP-GFCCVEGCSA-N 0 0 285.351 2.018 10 30 CEEERN C=C[C@H](N[C@@H](C)c1ccc(OC)c(OC)c1)C(=O)OC ZINC000380473476 344823036 /nfs/dbraw/zinc/82/30/36/344823036.db2.gz UPDANTFEYOOEGM-JQWIXIFHSA-N 0 0 279.336 2.082 10 30 CEEERN COc1ccc([C@@H](O)C/N=C/c2ccncc2)cc1 ZINC000584596162 344961358 /nfs/dbraw/zinc/96/13/58/344961358.db2.gz VJLKKHDKXMCBRU-ADFUCPMPSA-N 0 0 256.305 2.243 10 30 CEEERN COC(=O)c1ccc2c(c1)c(C#N)nn2[C@@H]1CCCCO1 ZINC000585656134 345010523 /nfs/dbraw/zinc/01/05/23/345010523.db2.gz LFSNDVQQTTXVDW-AWEZNQCLSA-N 0 0 285.303 2.394 10 30 CEEERN CC[C@@H](CC#N)S(=O)(=O)c1cccc(OC)c1 ZINC000084241442 178830998 /nfs/dbraw/zinc/83/09/98/178830998.db2.gz ARKNIPMBASTQEB-NSHDSACASA-N 0 0 253.323 2.161 10 30 CEEERN N#C[C@H]1CCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000084252119 178832491 /nfs/dbraw/zinc/83/24/91/178832491.db2.gz FRUBPFAGXFXFGX-SKDRFNHKSA-N 0 0 280.305 2.061 10 30 CEEERN CC[C@@H](C)[S@](=O)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000084261220 178833997 /nfs/dbraw/zinc/83/39/97/178833997.db2.gz MJAAWHOPMRVLNV-RMDKCXRXSA-N 0 0 278.377 2.432 10 30 CEEERN CC[C@@H](C)[S@](=O)CCOc1ccc(C#N)cc1 ZINC000084260913 178834058 /nfs/dbraw/zinc/83/40/58/178834058.db2.gz XORCKHHCIIKUJE-DIFFPNOSSA-N 0 0 251.351 2.484 10 30 CEEERN CC1(NC(=O)c2ccc(F)cc2C#CCO)CCCC1 ZINC000084236554 178829637 /nfs/dbraw/zinc/82/96/37/178829637.db2.gz NPGAIQMPTZOERK-UHFFFAOYSA-N 0 0 275.323 2.232 10 30 CEEERN N#Cc1ccc(-c2nc(COC[C@@H]3CCCO3)no2)s1 ZINC000592467549 345357492 /nfs/dbraw/zinc/35/74/92/345357492.db2.gz KWSGMPJXIXOUFP-VIFPVBQESA-N 0 0 291.332 2.365 10 30 CEEERN C#CC(C)(C)Nc1c([N+](=O)[O-])c(C)nn1CCC 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CEEERN CCCCNC(=O)[C@H](C)Oc1ccc(CC#N)cc1 ZINC000020363363 171162595 /nfs/dbraw/zinc/16/25/95/171162595.db2.gz HAELIKRZMJIRGD-LBPRGKRZSA-N 0 0 260.337 2.436 10 30 CEEERN C#CCCOc1ccc(Br)cc1CO ZINC000020483169 171223492 /nfs/dbraw/zinc/22/34/92/171223492.db2.gz NOSWSJONMKYBDU-UHFFFAOYSA-N 0 0 255.111 2.344 10 30 CEEERN O=CCc1c(F)c(F)ccc1I ZINC000021985438 171345361 /nfs/dbraw/zinc/34/53/61/171345361.db2.gz POKKFVDISQEGEI-UHFFFAOYSA-N 0 0 282.027 2.311 10 30 CEEERN N#CCOc1ccc(N2C(=O)CC3(CCCC3)C2=O)cc1 ZINC000035084157 171971260 /nfs/dbraw/zinc/97/12/60/171971260.db2.gz FHBAVEFIYJNQNF-UHFFFAOYSA-N 0 0 284.315 2.413 10 30 CEEERN C=CCNC(=O)[C@@H](C)Sc1ccc(C)cc1N ZINC000037193190 173021782 /nfs/dbraw/zinc/02/17/82/173021782.db2.gz HXQQDUHOLQIIGU-SNVBAGLBSA-N 0 0 250.367 2.360 10 30 CEEERN Cc1c(C)n(-c2ccc3c(c2)OCO3)c(N)c1C#N ZINC000037352755 173146452 /nfs/dbraw/zinc/14/64/52/173146452.db2.gz WAIIABSDVMCRMX-UHFFFAOYSA-N 0 0 255.277 2.277 10 30 CEEERN CCC=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000038176143 174135952 /nfs/dbraw/zinc/13/59/52/174135952.db2.gz GFUVNGJSSAEZHW-OKAJUWNNSA-N 0 0 250.214 2.477 10 30 CEEERN CC(C)=[NH+]n1cc([O-])c(-c2nc3ccccc3s2)c1N ZINC000039963131 174179861 /nfs/dbraw/zinc/17/98/61/174179861.db2.gz KTAYEKGMWZFFFH-UHFFFAOYSA-N 0 0 286.360 2.204 10 30 CEEERN C#CCn1c(CNC(=O)CCC)nc2ccccc21 ZINC000040189154 174202899 /nfs/dbraw/zinc/20/28/99/174202899.db2.gz OKUHRRYKMSDOSV-UHFFFAOYSA-N 0 0 255.321 2.086 10 30 CEEERN C=CCNC(=O)Cn1c2ccccc2nc1C1CC1 ZINC000040295962 174223559 /nfs/dbraw/zinc/22/35/59/174223559.db2.gz SLIJZLCBGSZRRB-UHFFFAOYSA-N 0 0 255.321 2.216 10 30 CEEERN CCc1ccc(S(=O)(=O)N(CCC#N)C2CC2)s1 ZINC000042301739 174677915 /nfs/dbraw/zinc/67/79/15/174677915.db2.gz LCFGQYFLOCGHJS-UHFFFAOYSA-N 0 0 284.406 2.377 10 30 CEEERN CCOC(=O)c1cc(N)ccc1N(C)C[C@H](C)C#N ZINC000042462346 174752297 /nfs/dbraw/zinc/75/22/97/174752297.db2.gz JCFXOOJYCZWSMY-SNVBAGLBSA-N 0 0 261.325 2.041 10 30 CEEERN CCOC(=O)[C@H]1CCCN1c1nc(C)cc(C)c1C#N ZINC000042718396 174857317 /nfs/dbraw/zinc/85/73/17/174857317.db2.gz GDMZISWXRDMVSE-CYBMUJFWSA-N 0 0 273.336 2.102 10 30 CEEERN COc1cc(OC)c(C(=O)C[C@@H](C)C#N)c(OC)c1 ZINC000043368224 175027684 /nfs/dbraw/zinc/02/76/84/175027684.db2.gz HLCPNDGCRJXUNE-SECBINFHSA-N 0 0 263.293 2.445 10 30 CEEERN COc1ccc(Oc2nc(C)ccc2/C(N)=N/O)cc1 ZINC000043400301 175036683 /nfs/dbraw/zinc/03/66/83/175036683.db2.gz MQLVRVFHBLWZJO-UHFFFAOYSA-N 0 0 273.292 2.285 10 30 CEEERN OCCC#Cc1ccsc1COC[C@H]1CCCO1 ZINC000043682733 175091346 /nfs/dbraw/zinc/09/13/46/175091346.db2.gz OHYMSMRUCMROFZ-CYBMUJFWSA-N 0 0 266.362 2.178 10 30 CEEERN C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@H]2O ZINC000044746303 175242340 /nfs/dbraw/zinc/24/23/40/175242340.db2.gz NVCXPZIPHGQGSB-XHDPSFHLSA-N 0 0 275.348 2.126 10 30 CEEERN CC[C@@H]1COCCN1C(=O)C1(C#N)CCCCC1 ZINC000044765901 175249075 /nfs/dbraw/zinc/24/90/75/175249075.db2.gz CQYWVTVRBQDGKO-GFCCVEGCSA-N 0 0 250.342 2.098 10 30 CEEERN CC(C)C[C@H](C)N(C)C(=O)C1(C#N)CCOCC1 ZINC000044767070 175249705 /nfs/dbraw/zinc/24/97/05/175249705.db2.gz CSCGJKLRXGQHFK-LBPRGKRZSA-N 0 0 252.358 2.200 10 30 CEEERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C#N)C(C)C ZINC000044814111 175258070 /nfs/dbraw/zinc/25/80/70/175258070.db2.gz YOXRCSLPFNNZKV-JTQLQIEISA-N 0 0 277.280 2.338 10 30 CEEERN N#C[C@H](Cc1ccccc1)C(=O)NCc1nccs1 ZINC000044825794 175259092 /nfs/dbraw/zinc/25/90/92/175259092.db2.gz ZNISILMTWJPSRR-LBPRGKRZSA-N 0 0 271.345 2.142 10 30 CEEERN N#C[C@H](Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H]1C2 ZINC000044826131 175259568 /nfs/dbraw/zinc/25/95/68/175259568.db2.gz MUMRKEMLSHLUHP-SOUVJXGZSA-N 0 0 254.333 2.380 10 30 CEEERN CCN(CCC#N)C(=O)[C@H](C#N)Cc1ccccc1 ZINC000044826470 175259676 /nfs/dbraw/zinc/25/96/76/175259676.db2.gz TWEPTLNHNPJSFA-AWEZNQCLSA-N 0 0 255.321 2.131 10 30 CEEERN CCO[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccccc2)C1 ZINC000044826378 175259741 /nfs/dbraw/zinc/25/97/41/175259741.db2.gz RXBPOYVAHRDLDQ-CVEARBPZSA-N 0 0 286.375 2.396 10 30 CEEERN C[C@@H](C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000044827927 175259784 /nfs/dbraw/zinc/25/97/84/175259784.db2.gz SDPVWYXWMCOCIV-LURJTMIESA-N 0 0 253.645 2.346 10 30 CEEERN C=CCSCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000044945267 175282782 /nfs/dbraw/zinc/28/27/82/175282782.db2.gz WHFJNKVVBDWHGD-UHFFFAOYSA-N 0 0 275.377 2.141 10 30 CEEERN CN(CC(C)(C)C)S(=O)(=O)Cc1ccccc1C#N ZINC000045088979 175304692 /nfs/dbraw/zinc/30/46/92/175304692.db2.gz XQBPXYCCVLCEAH-UHFFFAOYSA-N 0 0 280.393 2.366 10 30 CEEERN C[C@@H](C#N)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000045143864 175316442 /nfs/dbraw/zinc/31/64/42/175316442.db2.gz IAKRTLYONYCVAL-VIFPVBQESA-N 0 0 251.717 2.122 10 30 CEEERN C[C@@](C#N)(CN1CCc2ccccc2C1)NC1CC1 ZINC000045175523 175323400 /nfs/dbraw/zinc/32/34/00/175323400.db2.gz FLSDYEMXYAWPFI-MRXNPFEDSA-N 0 0 255.365 2.079 10 30 CEEERN CN[C@@](C#N)(CN(C)C1CCCC1)c1ccccc1 ZINC000045180269 175324895 /nfs/dbraw/zinc/32/48/95/175324895.db2.gz HBUVQSZLDXBGAO-INIZCTEOSA-N 0 0 257.381 2.499 10 30 CEEERN CC(C)N[C@](C)(C#N)CCn1cc(Br)cn1 ZINC000045207056 175328305 /nfs/dbraw/zinc/32/83/05/175328305.db2.gz IWMVERKGDGBFGX-NSHDSACASA-N 0 0 285.189 2.316 10 30 CEEERN Cc1nc(C)n(C[C@](C#N)(NC2CC2)c2ccccc2)n1 ZINC000045207164 175328697 /nfs/dbraw/zinc/32/86/97/175328697.db2.gz GHJPFESTNCYXSP-INIZCTEOSA-N 0 0 281.363 2.066 10 30 CEEERN CC(C)N[C@@](C#N)(CSc1nc[nH]n1)c1ccccc1 ZINC000045217747 175329508 /nfs/dbraw/zinc/32/95/08/175329508.db2.gz HCONKNPPCDKPGX-AWEZNQCLSA-N 0 0 287.392 2.314 10 30 CEEERN CCCN[C@@](C)(C#N)COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000045215678 175329565 /nfs/dbraw/zinc/32/95/65/175329565.db2.gz GFUSTGZXHWPTSV-AWEZNQCLSA-N 0 0 288.307 2.127 10 30 CEEERN C[C@@](C#N)(COc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000045214877 175329722 /nfs/dbraw/zinc/32/97/22/175329722.db2.gz ONLAWCBVEJZKCQ-CYBMUJFWSA-N 0 0 261.281 2.008 10 30 CEEERN CCN(CCC[C@](C)(C#N)NC)CC(F)(F)F ZINC000045313599 175357165 /nfs/dbraw/zinc/35/71/65/175357165.db2.gz NNVQRFLTFBJNHX-SNVBAGLBSA-N 0 0 251.296 2.152 10 30 CEEERN CCOCCOCCCC[C@](C)(C#N)NC(C)C ZINC000045325429 175359931 /nfs/dbraw/zinc/35/99/31/175359931.db2.gz MASKGWRLBGRYBE-CQSZACIVSA-N 0 0 256.390 2.490 10 30 CEEERN CCN[C@H](C#N)COc1cccc2ccc(C)nc21 ZINC000045330071 175360129 /nfs/dbraw/zinc/36/01/29/175360129.db2.gz QRIOQWOETXRAJF-CYBMUJFWSA-N 0 0 255.321 2.424 10 30 CEEERN Cc1ccc([N+](=O)[O-])cc1OCCC[C@](C)(N)C#N ZINC000045331512 175360146 /nfs/dbraw/zinc/36/01/46/175360146.db2.gz FPRYMIODRBFBNJ-ZDUSSCGKSA-N 0 0 263.297 2.303 10 30 CEEERN Cc1ccc(OC[C@@H](C#N)NC(C)C)c([N+](=O)[O-])c1 ZINC000045332012 175360184 /nfs/dbraw/zinc/36/01/84/175360184.db2.gz YENIMZARIUDCJT-LLVKDONJSA-N 0 0 263.297 2.172 10 30 CEEERN COc1cc(OC)cc(OCCC[C@@](C)(N)C#N)c1 ZINC000070141909 175874341 /nfs/dbraw/zinc/87/43/41/175874341.db2.gz SYEZQTXYHLJOEU-CQSZACIVSA-N 0 0 264.325 2.104 10 30 CEEERN N#Cc1cnn(Cc2cccc(Br)c2)c1N ZINC000070824454 176007663 /nfs/dbraw/zinc/00/76/63/176007663.db2.gz SWHOJFFDRAIDHV-UHFFFAOYSA-N 0 0 277.125 2.148 10 30 CEEERN COC(=O)C#Cc1cc(F)ccc1Br ZINC000070835315 176008462 /nfs/dbraw/zinc/00/84/62/176008462.db2.gz NCYBDBRNFXJZPE-UHFFFAOYSA-N 0 0 257.058 2.113 10 30 CEEERN CC[C@@H](C#N)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000070940861 176014393 /nfs/dbraw/zinc/01/43/93/176014393.db2.gz CSYNGNQKNAMOEN-HNNXBMFYSA-N 0 0 261.344 2.245 10 30 CEEERN C=CCN(C(C)C)S(=O)(=O)c1cnccc1Cl ZINC000071204316 176079104 /nfs/dbraw/zinc/07/91/04/176079104.db2.gz GAWXGZVNRDZRGM-UHFFFAOYSA-N 0 0 274.773 2.320 10 30 CEEERN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#CCO)cc1F ZINC000071210889 176082864 /nfs/dbraw/zinc/08/28/64/176082864.db2.gz FSKXDSKFTGSHMB-ABAIWWIYSA-N 0 0 275.323 2.088 10 30 CEEERN C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1C#CCO ZINC000071210894 176082892 /nfs/dbraw/zinc/08/28/92/176082892.db2.gz IOGHHKYCHKWPEA-NHYWBVRUSA-N 0 0 275.323 2.088 10 30 CEEERN C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#CCO)cc1F ZINC000071210891 176082957 /nfs/dbraw/zinc/08/29/57/176082957.db2.gz FSKXDSKFTGSHMB-IAQYHMDHSA-N 0 0 275.323 2.088 10 30 CEEERN C=CCCCN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 ZINC000071275655 176106925 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/nfs/dbraw/zinc/23/05/13/176230513.db2.gz XHPSOCASSVORJJ-LBPRGKRZSA-N 0 0 261.321 2.124 10 30 CEEERN CCOC(=O)CN1C(=O)c2c(ccc(Cl)c2C)[C@H]1C#N ZINC000071679734 176244503 /nfs/dbraw/zinc/24/45/03/176244503.db2.gz HUNCGVYKGWBZEV-LLVKDONJSA-N 0 0 292.722 2.232 10 30 CEEERN C#CCn1c(=O)[nH]c2sc(-c3ccccc3)cc2c1=O ZINC000075319805 176687709 /nfs/dbraw/zinc/68/77/09/176687709.db2.gz BZQCDYBTBKDTDK-UHFFFAOYSA-N 0 0 282.324 2.052 10 30 CEEERN CCOC(COc1ccc(C#N)cc1[N+](=O)[O-])OCC ZINC000076853449 177121513 /nfs/dbraw/zinc/12/15/13/177121513.db2.gz HYOADJSKYMKKGR-UHFFFAOYSA-N 0 0 280.280 2.244 10 30 CEEERN N#CCN(C1CCCC1)S(=O)(=O)C1CCCCC1 ZINC000078003283 177316182 /nfs/dbraw/zinc/31/61/82/177316182.db2.gz XVYFOYRVHVGPIE-UHFFFAOYSA-N 0 0 270.398 2.417 10 30 CEEERN N#C[C@@H]1CCCCN1C(=O)c1ccc(F)c(F)c1 ZINC000079809474 177563098 /nfs/dbraw/zinc/56/30/98/177563098.db2.gz KMKMILJVGUCBHZ-JTQLQIEISA-N 0 0 250.248 2.483 10 30 CEEERN Cc1c(Cl)cnn1CC[C@](C)(C#N)NC1CC1 ZINC000080015122 177595851 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C=CCCO[C@H](C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000125351194 329581636 /nfs/dbraw/zinc/58/16/36/329581636.db2.gz LAMROKSCHOBEHA-RDBSUJKOSA-N 0 0 267.369 2.138 10 30 CEEERN C=C[C@@H](C)OC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000187541426 333172377 /nfs/dbraw/zinc/17/23/77/333172377.db2.gz UXCVVISXBIFQQD-MNOVXSKESA-N 0 0 269.341 2.361 10 30 CEEERN C#CCCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000231562424 333325932 /nfs/dbraw/zinc/32/59/32/333325932.db2.gz ZKWCCQOCBONJIN-UHFFFAOYSA-N 0 0 296.348 2.214 10 30 CEEERN C=CCOc1ccccc1C(=O)NC[C@@H](O)C(C)(C)C ZINC000133270792 334032723 /nfs/dbraw/zinc/03/27/23/334032723.db2.gz JWIJWCDCSGVENK-CQSZACIVSA-N 0 0 277.364 2.388 10 30 CEEERN CCCN[C@H](C#N)CCN(CC)CC(F)(F)F ZINC000062435768 520060212 /nfs/dbraw/zinc/06/02/12/520060212.db2.gz WHDZSTNRRGCJDR-JTQLQIEISA-N 0 0 251.296 2.152 10 30 CEEERN CCCNc1snnc1CN(CC)C[C@H](C)C#N ZINC000050817227 520202343 /nfs/dbraw/zinc/20/23/43/520202343.db2.gz CDFWNFINZUQZJL-SNVBAGLBSA-N 0 0 267.402 2.342 10 30 CEEERN C=CCOc1ccc(OC(=O)[C@@H](C)COC)cc1 ZINC000173523824 500578815 /nfs/dbraw/zinc/57/88/15/500578815.db2.gz HHAJFDZOYOITGR-NSHDSACASA-N 0 0 250.294 2.439 10 30 CEEERN CCc1nc(C(=O)Nc2sc3c(c2C#N)CCC3)n[nH]1 ZINC000095061298 517862183 /nfs/dbraw/zinc/86/21/83/517862183.db2.gz OCJGVOCLEGCJOU-UHFFFAOYSA-N 0 0 287.348 2.041 10 30 CEEERN CC(C)(C)NC(=O)NCc1ccccc1C#CCCO ZINC000049589818 518743470 /nfs/dbraw/zinc/74/34/70/518743470.db2.gz HTNLAVOMAUCCMT-UHFFFAOYSA-N 0 0 274.364 2.018 10 30 CEEERN C=CCN[C@](C)(C(=O)OCC)c1ccc(F)cc1 ZINC000051962315 518960551 /nfs/dbraw/zinc/96/05/51/518960551.db2.gz QQYSRIVYSKYCHO-AWEZNQCLSA-N 0 0 251.301 2.380 10 30 CEEERN CC(C)CCC[C@@H](C)NC(=O)c1cncc(C#CCO)c1 ZINC000049628843 519645008 /nfs/dbraw/zinc/64/50/08/519645008.db2.gz WMBOENSWJMQJEE-CQSZACIVSA-N 0 0 288.391 2.370 10 30 CEEERN CC(C)N[C@H](C#N)CCOc1ccc([N+](=O)[O-])cc1 ZINC000062449261 519737983 /nfs/dbraw/zinc/73/79/83/519737983.db2.gz RPHFITGHEPAPTJ-NSHDSACASA-N 0 0 263.297 2.254 10 30 CEEERN CC(C)COC(=O)N[C@@H](C)c1cccc(C#CCO)c1 ZINC000049589938 519750737 /nfs/dbraw/zinc/75/07/37/519750737.db2.gz QOFIMRYSPLZBJF-ZDUSSCGKSA-N 0 0 275.348 2.474 10 30 CEEERN CCN[C@](C#N)(CN1CCc2ccccc2C1)C1CC1 ZINC000069076777 520223076 /nfs/dbraw/zinc/22/30/76/520223076.db2.gz SMMNPPHKAZKHQR-QGZVFWFLSA-N 0 0 269.392 2.327 10 30 CEEERN CC1(C)CN(Cc2ccc(C#CCCO)cc2)CCO1 ZINC000049613246 520477445 /nfs/dbraw/zinc/47/74/45/520477445.db2.gz VQOCVFWZEUQGCM-UHFFFAOYSA-N 0 0 273.376 2.031 10 30 CEEERN CCC(C)(C)C(=O)NCc1ccccc1C#CCO ZINC000054403945 521271808 /nfs/dbraw/zinc/27/18/08/521271808.db2.gz IJKAUWPQDCSGCP-UHFFFAOYSA-N 0 0 259.349 2.083 10 30 CEEERN CCC(C)(C)N(C)C(=O)c1cc(C#CCO)ccc1F ZINC000069461315 521293813 /nfs/dbraw/zinc/29/38/13/521293813.db2.gz PJVDDCZIMWJAOX-UHFFFAOYSA-N 0 0 277.339 2.430 10 30 CEEERN CCC(C)(C)NC(=O)COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000067017046 521319589 /nfs/dbraw/zinc/31/95/89/521319589.db2.gz CSCLYAUSRGUMPA-UHFFFAOYSA-N 0 0 291.307 2.150 10 30 CEEERN CCCc1cc(=O)[nH]c(Sc2ccnc(C#N)c2)n1 ZINC000061815494 521349010 /nfs/dbraw/zinc/34/90/10/521349010.db2.gz ORIDXTQEJCQFPW-UHFFFAOYSA-N 0 0 272.333 2.140 10 30 CEEERN CCN1C(=O)N(c2ccc(C#N)cc2)C(=O)C[C@H]1C ZINC000061213480 521526624 /nfs/dbraw/zinc/52/66/24/521526624.db2.gz LLJQZCVGJHISBN-SNVBAGLBSA-N 0 0 257.293 2.125 10 30 CEEERN CC[C@@H](C)C(=O)N[C@H](C)c1ccc(C#CCO)cc1 ZINC000049588536 521919179 /nfs/dbraw/zinc/91/91/79/521919179.db2.gz DZNSGGDMNLYJRA-CHWSQXEVSA-N 0 0 259.349 2.254 10 30 CEEERN CC[C@H](C)[C@H](C)NC(=O)c1cc(C#CCO)ccc1F ZINC000049105425 521932040 /nfs/dbraw/zinc/93/20/40/521932040.db2.gz LDUJAZGEHMPBFA-RYUDHWBXSA-N 0 0 277.339 2.334 10 30 CEEERN CN[C@H](C#N)CCSc1nc2cc(OC)ccc2[nH]1 ZINC000062454662 522435308 /nfs/dbraw/zinc/43/53/08/522435308.db2.gz VPPHBRJYBRDOFV-VIFPVBQESA-N 0 0 276.365 2.165 10 30 CEEERN CN[C@](C#N)(COc1ccc(F)cc1F)C1CC1 ZINC000069086602 522509908 /nfs/dbraw/zinc/50/99/08/522509908.db2.gz MOGYMHMYNHNVMC-CYBMUJFWSA-N 0 0 252.264 2.235 10 30 CEEERN CC[C@H](NC(=O)c1ccc(C#CCO)cc1)C(C)C ZINC000049148470 522528256 /nfs/dbraw/zinc/52/82/56/522528256.db2.gz KQVNCCPTRRLRAZ-HNNXBMFYSA-N 0 0 259.349 2.195 10 30 CEEERN CNc1cc(C(=O)Nc2cccc(C#N)c2)ccn1 ZINC000050728365 522560817 /nfs/dbraw/zinc/56/08/17/522560817.db2.gz BCEQRFJARSUKHW-UHFFFAOYSA-N 0 0 252.277 2.247 10 30 CEEERN CNc1ccccc1S(=O)(=O)N(CCC#N)C(C)C ZINC000050675842 522659598 /nfs/dbraw/zinc/65/95/98/522659598.db2.gz LYSHJYVAYBVMHS-UHFFFAOYSA-N 0 0 281.381 2.041 10 30 CEEERN CN(CCC#N)C(=O)c1ccc(N)c(C(F)(F)F)c1 ZINC000050696015 522671840 /nfs/dbraw/zinc/67/18/40/522671840.db2.gz PEGZHICMBMNSHK-UHFFFAOYSA-N 0 0 271.242 2.273 10 30 CEEERN Cn1c(=O)cc(C(=O)NC[C@@H]2CCCC2=O)c2ccccc21 ZINC000330072161 534669407 /nfs/dbraw/zinc/66/94/07/534669407.db2.gz YURHXFOBTSSBNB-NSHDSACASA-N 0 0 298.342 2.212 10 30 CEEERN CN(C[C@@H]1CCCCO1)C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614758 523032458 /nfs/dbraw/zinc/03/24/58/523032458.db2.gz BTXHPYBKEGTWFV-GJZGRUSLSA-N 0 0 272.348 2.321 10 30 CEEERN CN(Cc1ccco1)Cc1ccc(F)c(C#CCO)c1 ZINC000049618214 523434591 /nfs/dbraw/zinc/43/45/91/523434591.db2.gz OGDDSGPZNQAISY-UHFFFAOYSA-N 0 0 273.307 2.395 10 30 CEEERN COCCCSC[C@](C#N)(NC(C)C)C1CC1 ZINC000069095082 523443673 /nfs/dbraw/zinc/44/36/73/523443673.db2.gz DZAMEVRXMRKFLX-ZDUSSCGKSA-N 0 0 256.415 2.426 10 30 CEEERN CN(Cc1ccncc1)Cc1ccc(C#CCO)cc1F ZINC000049613167 523462106 /nfs/dbraw/zinc/46/21/06/523462106.db2.gz QTILRNZVEHPPIY-UHFFFAOYSA-N 0 0 284.334 2.197 10 30 CEEERN CN(Cc1ccoc1)Cc1ccc(F)c(C#CCO)c1 ZINC000049614337 523475974 /nfs/dbraw/zinc/47/59/74/523475974.db2.gz AMRYOLKIAHLDIF-UHFFFAOYSA-N 0 0 273.307 2.395 10 30 CEEERN CN(c1ccc(/C(N)=N/O)cc1)c1ccc(F)cn1 ZINC000061950876 523634245 /nfs/dbraw/zinc/63/42/45/523634245.db2.gz XTFNTNWMTKXZAP-UHFFFAOYSA-N 0 0 260.272 2.083 10 30 CEEERN CN(c1cccc(C#N)c1)c1ncnc(Cl)c1N ZINC000062364679 523645137 /nfs/dbraw/zinc/64/51/37/523645137.db2.gz QACFVWCZHPRWIC-UHFFFAOYSA-N 0 0 259.700 2.352 10 30 CEEERN CC[C@H](C)CNC(=O)c1ccccc1C#CCCO ZINC000054490965 523883887 /nfs/dbraw/zinc/88/38/87/523883887.db2.gz RIEFJJOFNWIGEN-ZDUSSCGKSA-N 0 0 259.349 2.196 10 30 CEEERN COC(=O)[C@H](NC(=O)C1(C#N)CCCC1)c1ccccc1 ZINC000050512617 523914391 /nfs/dbraw/zinc/91/43/91/523914391.db2.gz BNVCWASRCWIAIQ-CYBMUJFWSA-N 0 0 286.331 2.101 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2ccc(C#CCO)s2)[C@@H]1C ZINC000050568473 524208638 /nfs/dbraw/zinc/20/86/38/524208638.db2.gz RPIFTAKWMQGTHU-VXGBXAGGSA-N 0 0 277.389 2.353 10 30 CEEERN Cc1cccc(C)c1NC(=O)c1cncc(C#CCO)c1 ZINC000049628377 524298156 /nfs/dbraw/zinc/29/81/56/524298156.db2.gz XWIWDWSSKNOOMR-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN C[C@H]1CCN(c2ccc(/C(N)=N/O)cc2Cl)C1 ZINC000062794519 524306083 /nfs/dbraw/zinc/30/60/83/524306083.db2.gz FCUBDYSBOZVDEI-QMMMGPOBSA-N 0 0 253.733 2.281 10 30 CEEERN C[C@@H](C[C@](C)(N)C#N)n1c2ccccc2nc1CC#N ZINC000068617983 524861360 /nfs/dbraw/zinc/86/13/60/524861360.db2.gz FHNMEEOKTSGSQA-NHYWBVRUSA-N 0 0 267.336 2.294 10 30 CEEERN COc1ccc(OC)c(Nc2nc(C)cc(C#N)n2)c1 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/nfs/dbraw/zinc/49/30/29/526493029.db2.gz OIIJDUDGWCYAPS-VXGBXAGGSA-N 0 0 251.232 2.320 10 30 CEEERN N#C[C@H](C(=O)N1CCCSCC1)c1ccccc1 ZINC000061614731 526505536 /nfs/dbraw/zinc/50/55/36/526505536.db2.gz RDCMLGDWVBSYER-ZDUSSCGKSA-N 0 0 260.362 2.259 10 30 CEEERN N#C[C@H](c1ccc2ncccc2c1)N1CCOCC1 ZINC000069504588 526511187 /nfs/dbraw/zinc/51/11/87/526511187.db2.gz BJYJJYSPBCJQBG-OAHLLOKOSA-N 0 0 253.305 2.132 10 30 CEEERN N#C[C@](N)(CN1Cc2ccccc2C1)c1ccccc1 ZINC000050912105 526514596 /nfs/dbraw/zinc/51/45/96/526514596.db2.gz HHRLLFSDALPCMS-KRWDZBQOSA-N 0 0 263.344 2.380 10 30 CEEERN N#C[C@](N)(COc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000069088044 526514902 /nfs/dbraw/zinc/51/49/02/526514902.db2.gz IGJVFEMXHUCZGM-LBPRGKRZSA-N 0 0 281.699 2.258 10 30 CEEERN N#Cc1c(Cl)cccc1NC1CCS(=O)(=O)CC1 ZINC000052903703 526519161 /nfs/dbraw/zinc/51/91/61/526519161.db2.gz FTHXZZHGAFYSDM-UHFFFAOYSA-N 0 0 284.768 2.201 10 30 CEEERN N#Cc1cccc(NC(=O)c2ccccc2NN)c1 ZINC000051096383 526722227 /nfs/dbraw/zinc/72/22/27/526722227.db2.gz BOSGGFXWZYOJDL-UHFFFAOYSA-N 0 0 252.277 2.096 10 30 CEEERN N#Cc1ncccc1CN1C(=O)CCc2ccccc21 ZINC000061664642 526790595 /nfs/dbraw/zinc/79/05/95/526790595.db2.gz INIPVIITMVXNBP-UHFFFAOYSA-N 0 0 263.300 2.433 10 30 CEEERN N#Cc1ncccc1Cn1c(=O)ccc2ccccc21 ZINC000070339880 526791034 /nfs/dbraw/zinc/79/10/34/526791034.db2.gz PFHHQGLKKRSVJD-UHFFFAOYSA-N 0 0 261.284 2.316 10 30 CEEERN N#Cc1ncccc1COc1cc2c(cc1C=O)OCO2 ZINC000061659208 526791458 /nfs/dbraw/zinc/79/14/58/526791458.db2.gz PTPXXTCZDWAHHG-UHFFFAOYSA-N 0 0 282.255 2.073 10 30 CEEERN N#Cc1ncccc1Cn1ccc(C(F)(F)F)n1 ZINC000061664694 526792732 /nfs/dbraw/zinc/79/27/32/526792732.db2.gz VLGKNIVXSCWMKR-UHFFFAOYSA-N 0 0 252.199 2.217 10 30 CEEERN N/C(=N/O)c1c(Cl)cccc1OCC(F)(F)F ZINC000052906764 526802098 /nfs/dbraw/zinc/80/20/98/526802098.db2.gz RIEPAFTWCXHYPH-UHFFFAOYSA-N 0 0 268.622 2.376 10 30 CEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)c1cc[nH]n1 ZINC000062778278 527102653 /nfs/dbraw/zinc/10/26/53/527102653.db2.gz 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DCAZCIAETDDNBM-UHFFFAOYSA-N 0 0 273.336 2.324 10 30 CEEERN C[C@@H]1CC[C@@H](C(=O)OC[C@@H](C#N)Cc2ccccc2)O1 ZINC000248124793 624831900 /nfs/dbraw/zinc/83/19/00/624831900.db2.gz FUHSZEMVSGHCJK-YUELXQCFSA-N 0 0 273.332 2.480 10 30 CEEERN CCc1ccc(/C=C2\C(=O)ON=C2C)cc1[N+](=O)[O-] ZINC000096193622 628955990 /nfs/dbraw/zinc/95/59/90/628955990.db2.gz FFCGQCQOUJUNLA-WDZFZDKYSA-N 0 0 260.249 2.473 10 30 CEEERN CC[C@H](C#N)NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000179227871 631664525 /nfs/dbraw/zinc/66/45/25/631664525.db2.gz MAHKICZRNCEVIT-ABZNLYFFSA-N 0 0 268.313 2.018 10 30 CEEERN COC[C@H](C)C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000103688458 631746601 /nfs/dbraw/zinc/74/66/01/631746601.db2.gz FJJOKVQSAKTFPS-AAEUAGOBSA-N 0 0 279.311 2.334 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccnc(Br)c1 ZINC000229625188 639711844 /nfs/dbraw/zinc/71/18/44/639711844.db2.gz XWCJKQHRZGDUHL-VHSXEESVSA-N 0 0 294.152 2.266 10 30 CEEERN COC[C@@H](C)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000089289241 640276053 /nfs/dbraw/zinc/27/60/53/640276053.db2.gz ZPUMZPNMXHCXSS-GHMZBOCLSA-N 0 0 267.350 2.256 10 30 CEEERN CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CC#N ZINC000068122690 641379972 /nfs/dbraw/zinc/37/99/72/641379972.db2.gz IYEAWWFKWVGYRA-SDDRHHMPSA-N 0 0 297.399 2.344 10 30 CEEERN CC#CCNC(=O)[C@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000182320209 641645385 /nfs/dbraw/zinc/64/53/85/641645385.db2.gz CSCYSKZAZWFLNP-INIZCTEOSA-N 0 0 294.395 2.306 10 30 CEEERN COc1ccc(/C=C(\C)C(=O)N[C@H](C)C#N)cc1F ZINC000185177558 641947022 /nfs/dbraw/zinc/94/70/22/641947022.db2.gz RREUMKOQQDQEPI-OLKPEBQYSA-N 0 0 262.284 2.266 10 30 CEEERN CC[C@H](CC#N)NS(=O)(=O)/C=C/c1ccccc1 ZINC000186429545 642477550 /nfs/dbraw/zinc/47/75/50/642477550.db2.gz JLIADGMMSZJJHQ-YGNAEDSMSA-N 0 0 264.350 2.269 10 30 CEEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2OCC#N)O1 ZINC000128926712 651678231 /nfs/dbraw/zinc/67/82/31/651678231.db2.gz HLXNULSSIFSCLE-SKDRFNHKSA-N 0 0 278.283 2.234 10 30 CEEERN CCCCCCC[S@@](=O)Cc1nnnn1C(C)C ZINC000133769974 652717226 /nfs/dbraw/zinc/71/72/26/652717226.db2.gz JRJYDPCIPSESKA-SFHVURJKSA-N 0 0 272.418 2.473 10 30 CEEERN CCC[C@H](C#N)N1CCN(Cc2ccccc2)CC1 ZINC000082427373 178002738 /nfs/dbraw/zinc/00/27/38/178002738.db2.gz HZKFPVOYRISFDB-MRXNPFEDSA-N 0 0 257.381 2.496 10 30 CEEERN O=C1NCCNc2c(C#Cc3ccccc3)cccc21 ZINC000034456760 361790693 /nfs/dbraw/zinc/79/06/93/361790693.db2.gz NVXZYZMNAWEVJI-UHFFFAOYSA-N 0 0 262.312 2.242 10 30 CEEERN N#Cc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000125292898 187178262 /nfs/dbraw/zinc/17/82/62/187178262.db2.gz RKESGNLEDHTTGM-UHFFFAOYSA-N 0 0 280.331 2.301 10 30 CEEERN C=CCN(C(C)=O)[C@H](C)C(=O)Nc1ccc(F)cc1 ZINC000096775277 185111897 /nfs/dbraw/zinc/11/18/97/185111897.db2.gz SEKIQWRYBXTZFD-SNVBAGLBSA-N 0 0 264.300 2.187 10 30 CEEERN CN(C)C(=O)CCNc1ccc(C#N)c(Cl)c1 ZINC000037897902 361960303 /nfs/dbraw/zinc/96/03/03/361960303.db2.gz OXZQMYQMDCVSLS-UHFFFAOYSA-N 0 0 251.717 2.102 10 30 CEEERN CC[C@H](NC(=O)c1cnn2ccncc12)C1CCOCC1 ZINC000329260046 529581600 /nfs/dbraw/zinc/58/16/00/529581600.db2.gz CRZAAVFSXPJWTQ-ZDUSSCGKSA-N 0 0 288.351 2.239 10 30 CEEERN c1ccc2c(OC[C@@H]3CO3)ccc(OC[C@@H]3CO3)c2c1 ZINC000001856880 343351796 /nfs/dbraw/zinc/35/17/96/343351796.db2.gz RHYLFJIYMVTKQO-RYUDHWBXSA-N 0 0 272.300 2.395 10 30 CEEERN N#Cc1ccc([N+](=O)[O-])cc1I ZINC000034460462 343419952 /nfs/dbraw/zinc/41/99/52/343419952.db2.gz CDNHWNSAPDNORO-UHFFFAOYSA-N 0 0 274.017 2.071 10 30 CEEERN C=C(Cl)CN(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909807 136378929 /nfs/dbraw/zinc/37/89/29/136378929.db2.gz QLQSFODSXFUWFC-GFCCVEGCSA-N 0 0 266.776 2.130 10 30 CEEERN Cc1cc(C)c2ncc(C#N)c(NCc3ncnn3C)c2c1 ZINC000078677196 343961333 /nfs/dbraw/zinc/96/13/33/343961333.db2.gz VTKMQLJRMGSEPU-UHFFFAOYSA-N 0 0 292.346 2.464 10 30 CEEERN C[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1O ZINC000092978134 344209477 /nfs/dbraw/zinc/20/94/77/344209477.db2.gz DPRFSOTYHRRZSV-NHYWBVRUSA-N 0 0 267.332 2.314 10 30 CEEERN COCCCc1cc(C)c(C)c(COS(C)(=O)=O)c1 ZINC000115612070 344283720 /nfs/dbraw/zinc/28/37/20/344283720.db2.gz IFKGDERWDCSQKR-UHFFFAOYSA-N 0 0 286.393 2.359 10 30 CEEERN C#CC[C@H](NN)c1ccc(Br)c(C)c1 ZINC000126615654 344325674 /nfs/dbraw/zinc/32/56/74/344325674.db2.gz NHXTTYNEOSLFIZ-NSHDSACASA-N 0 0 253.143 2.285 10 30 CEEERN C#C[C@@H](NN)c1cc(Br)ccc1Cl ZINC000158073461 344449843 /nfs/dbraw/zinc/44/98/43/344449843.db2.gz ZAWFKMOXXFLVKG-SECBINFHSA-N 0 0 259.534 2.240 10 30 CEEERN CCNC(=NN)c1cccc(Br)c1Cl ZINC000160422509 344458772 /nfs/dbraw/zinc/45/87/72/344458772.db2.gz XHTKTDUCDIAXAF-UHFFFAOYSA-N 0 0 276.565 2.332 10 30 CEEERN CCN1CCO[C@@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000169232550 344481562 /nfs/dbraw/zinc/48/15/62/344481562.db2.gz ADLUKZNCDXNNHW-ZDUSSCGKSA-N 0 0 279.771 2.344 10 30 CEEERN CC#CCOc1c(Br)cccc1CO ZINC000051664081 362434166 /nfs/dbraw/zinc/43/41/66/362434166.db2.gz AQZUESWYGREREC-UHFFFAOYSA-N 0 0 255.111 2.344 10 30 CEEERN CN(CCC#N)c1ncnc(Cl)c1Br ZINC000234268295 344584214 /nfs/dbraw/zinc/58/42/14/344584214.db2.gz NOYNALJLKUAGQG-UHFFFAOYSA-N 0 0 275.537 2.242 10 30 CEEERN CC(=NNC(N)=S)c1ccc(Br)cc1 ZINC000252447749 344639256 /nfs/dbraw/zinc/63/92/56/344639256.db2.gz OKNJXRBJRXAECS-UHFFFAOYSA-N 0 0 272.171 2.006 10 30 CEEERN NC(=S)NN=C/C(Br)=C\c1ccccc1 ZINC000257354512 344647566 /nfs/dbraw/zinc/64/75/66/344647566.db2.gz YFFZKDMAFFSNTO-CGNNFRJESA-N 0 0 284.182 2.241 10 30 CEEERN CN(C[C@@H]1CCc2nccn2C1)C(=O)c1cccc(C#N)c1 ZINC000328619507 344755595 /nfs/dbraw/zinc/75/55/95/344755595.db2.gz FXVHWMDRIDXLKL-AWEZNQCLSA-N 0 0 294.358 2.089 10 30 CEEERN O=C(NC[C@H]1CCn2ccnc2C1)c1cccc2[nH]cnc21 ZINC000328621929 344755935 /nfs/dbraw/zinc/75/59/35/344755935.db2.gz IBFYKHZVJAFPAS-NSHDSACASA-N 0 0 295.346 2.327 10 30 CEEERN COc1ccc(Br)c(C[C@H](C#N)CO)c1 ZINC000083709924 178722196 /nfs/dbraw/zinc/72/21/96/178722196.db2.gz OLEKIXYBQYHOKB-MRVPVSSYSA-N 0 0 270.126 2.132 10 30 CEEERN Cn1cc(Br)c(CN[C@@H]2CCCC[C@H]2C#N)n1 ZINC000393366716 344839647 /nfs/dbraw/zinc/83/96/47/344839647.db2.gz FYDONGBHBZRMQE-GXSJLCMTSA-N 0 0 297.200 2.355 10 30 CEEERN O=C(c1nscc1Br)C1=CCCO1 ZINC000404769206 344882239 /nfs/dbraw/zinc/88/22/39/344882239.db2.gz OTPYDOJLQPLRIB-UHFFFAOYSA-N 0 0 260.112 2.393 10 30 CEEERN COC(=O)C(Br)=CNc1ccc(C#N)cc1 ZINC000584611418 344964768 /nfs/dbraw/zinc/96/47/68/344964768.db2.gz DTDPRFGBHMCXBA-YFHOEESVSA-N 0 0 281.109 2.379 10 30 CEEERN O=[N+]([O-])C[C@H](C#C/C=C/c1cccs1)CCO ZINC000584611054 344964779 /nfs/dbraw/zinc/96/47/79/344964779.db2.gz LXLUEDNVWOTWJY-XGQHYKRYSA-N 0 0 251.307 2.040 10 30 CEEERN COc1cc(OC)c(OC)cc1CC/C(C)=N/O ZINC000584624537 344967686 /nfs/dbraw/zinc/96/76/86/344967686.db2.gz SFCZBQZTMNDUJJ-NTEUORMPSA-N 0 0 253.298 2.495 10 30 CEEERN N#CC(c1nccnc1Cl)S(=O)(=O)c1ccccc1 ZINC000584628725 344968962 /nfs/dbraw/zinc/96/89/62/344968962.db2.gz TYVAITWOLMHWNA-SNVBAGLBSA-N 0 0 293.735 2.169 10 30 CEEERN C=CCNC(=O)c1cc(Br)c(CC)[nH]c1=O ZINC000584633189 344969973 /nfs/dbraw/zinc/96/99/73/344969973.db2.gz VHIXOIPZZDVULX-UHFFFAOYSA-N 0 0 285.141 2.028 10 30 CEEERN CC#Cc1cnc(-n2ccc3ccncc32)cc1CO 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262.359 2.174 10 30 CEEERN N#Cc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)nc1 ZINC000111280532 186388344 /nfs/dbraw/zinc/38/83/44/186388344.db2.gz YENIACYDVBTRKT-UHFFFAOYSA-N 0 0 295.327 2.397 10 30 CEEERN CN[C@@](C#N)(CSCCCOC)c1ccccc1 ZINC000111660300 186438625 /nfs/dbraw/zinc/43/86/25/186438625.db2.gz AIFNNWYCMNMUOW-AWEZNQCLSA-N 0 0 264.394 2.395 10 30 CEEERN C[C@@H]1C[C@@H]1CN(C)C(=O)c1cc(C#CCCO)ccc1F ZINC000111776848 186456024 /nfs/dbraw/zinc/45/60/24/186456024.db2.gz ZLGNYTCYDAIRKS-TZMCWYRMSA-N 0 0 289.350 2.288 10 30 CEEERN C/C=C/CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000114743848 186641263 /nfs/dbraw/zinc/64/12/63/186641263.db2.gz XPANITNHSASQCL-NSCUHMNNSA-N 0 0 284.768 2.456 10 30 CEEERN C=CCC[C@@H](O)CNC1(c2noc(CC)n2)CCCC1 ZINC000132038218 366112783 /nfs/dbraw/zinc/11/27/83/366112783.db2.gz OOIPIQWOBOTSDH-GFCCVEGCSA-N 0 0 279.384 2.318 10 30 CEEERN COC(=O)[C@H]1O[C@@]1(C)c1cc(Br)ccc1F ZINC000132280288 540161904 /nfs/dbraw/zinc/16/19/04/540161904.db2.gz SRXNYBQLSYQUOP-KOLCDFICSA-N 0 0 289.100 2.375 10 30 CEEERN CCOC(=O)c1cc(C=O)c(OC(F)(F)F)cc1C#N ZINC000575390956 366267119 /nfs/dbraw/zinc/26/71/19/366267119.db2.gz LBXZVLGIOGVXBO-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN CCOC(=O)c1ccc(OC(F)(F)F)c(O)c1C#N ZINC000575391401 366268763 /nfs/dbraw/zinc/26/87/63/366268763.db2.gz GCAIGAKGQDDPNP-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)c1c(C#N)cc(OC(F)(F)F)cc1C=O ZINC000575391215 366268943 /nfs/dbraw/zinc/26/89/43/366268943.db2.gz PELZLODLKLCJSO-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN CCOC(=O)c1c(C#N)cc(OC(F)(F)F)cc1C=O ZINC000575391649 366269648 /nfs/dbraw/zinc/26/96/48/366269648.db2.gz ZOIUUCIPIRJEIO-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN CCOC(=O)c1c(O)c(C#N)ccc1OC(F)(F)F ZINC000575391731 366269855 /nfs/dbraw/zinc/26/98/55/366269855.db2.gz MLPZBUXQVFEXIH-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(C(F)(F)F)c1OC ZINC000575394473 366273842 /nfs/dbraw/zinc/27/38/42/366273842.db2.gz MIHHCJOCGXZDEC-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)c1c(OC)ccc(C#N)c1OC(F)(F)F ZINC000575394888 366274011 /nfs/dbraw/zinc/27/40/11/366274011.db2.gz RMPXOBVLZQVSMS-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C)cc1OC(F)(F)F ZINC000575394651 366274049 /nfs/dbraw/zinc/27/40/49/366274049.db2.gz IJOMNNRRDJALQZ-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN COC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575395766 366275996 /nfs/dbraw/zinc/27/59/96/366275996.db2.gz PWHKDPSYKYQRAV-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN C[C@@H](C#N)NC(=O)c1ccsc1Br ZINC000575488188 366291832 /nfs/dbraw/zinc/29/18/32/366291832.db2.gz WHMJSLIDPZPLCH-YFKPBYRVSA-N 0 0 259.128 2.152 10 30 CEEERN CCOc1cc(OC(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575657876 366318062 /nfs/dbraw/zinc/31/80/62/366318062.db2.gz MQOOQAKYNUXVKH-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN N#CCc1ccc(N)c(I)c1F ZINC000575719238 366344052 /nfs/dbraw/zinc/34/40/52/366344052.db2.gz YIDRMDXISDVRJF-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN N#Cc1cc(Br)cnc1NC[C@H]1CCC[C@H]1O ZINC000297304526 200141684 /nfs/dbraw/zinc/14/16/84/200141684.db2.gz YUAOWEJHFOGLKV-LDYMZIIASA-N 0 0 296.168 2.289 10 30 CEEERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(C#N)c1 ZINC000081163079 363704810 /nfs/dbraw/zinc/70/48/10/363704810.db2.gz HXZQTDIOCXCOLZ-CYBMUJFWSA-N 0 0 296.334 2.115 10 30 CEEERN C#C[C@H](OC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000152427169 366694748 /nfs/dbraw/zinc/69/47/48/366694748.db2.gz NUCMESKTWYKQRI-OLZOCXBDSA-N 0 0 293.363 2.341 10 30 CEEERN C#C[C@@H](OC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000152457024 366697120 /nfs/dbraw/zinc/69/71/20/366697120.db2.gz PUKXLKNPDODQLW-CHWSQXEVSA-N 0 0 293.363 2.198 10 30 CEEERN N#C[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000011894302 361368629 /nfs/dbraw/zinc/36/86/29/361368629.db2.gz AYXHRDQXBUAHSA-QMMMGPOBSA-N 0 0 265.110 2.326 10 30 CEEERN C[C@H](N=C(NC#N)Nc1ccncc1)c1ccccc1 ZINC000013233384 361423839 /nfs/dbraw/zinc/42/38/39/361423839.db2.gz VBLIIDRTXNNNRX-LBPRGKRZSA-N 0 0 265.320 2.491 10 30 CEEERN CCCCC[C@@H](CC(=O)NO)S(=O)(=O)c1ccccc1 ZINC000013808879 361442037 /nfs/dbraw/zinc/44/20/37/361442037.db2.gz WVZZALQGSXSJLB-ZDUSSCGKSA-N 0 0 299.392 2.305 10 30 CEEERN Cc1cc(N(C)C[C@@H]2CCC[C@H]2O)c(C#N)c(C)n1 ZINC000301820062 201217191 /nfs/dbraw/zinc/21/71/91/201217191.db2.gz GECFESHFXPDNFE-SWLSCSKDSA-N 0 0 259.353 2.167 10 30 CEEERN CC(=O)c1ccc(Oc2ccc(C#N)nn2)c([N+](=O)[O-])c1 ZINC000301913403 201258833 /nfs/dbraw/zinc/25/88/33/201258833.db2.gz CNFCDPFSXXMOBY-UHFFFAOYSA-N 0 0 284.231 2.251 10 30 CEEERN N#Cc1ccc(Sc2n[nH]c(-c3cccs3)n2)nn1 ZINC000301924293 201265960 /nfs/dbraw/zinc/26/59/60/201265960.db2.gz MDGVCRPVNGNWNJ-UHFFFAOYSA-N 0 0 286.345 2.346 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000093655757 364211421 /nfs/dbraw/zinc/21/14/21/364211421.db2.gz LRZRRFBJTJJAEV-PELKAZGASA-N 0 0 277.255 2.156 10 30 CEEERN Cn1c2ccccc2nc1CN[C@@H]1CCC[C@H]1C#N ZINC000111348254 364729087 /nfs/dbraw/zinc/72/90/87/364729087.db2.gz YNMDOFVCPRALLR-NWDGAFQWSA-N 0 0 254.337 2.355 10 30 CEEERN O=C1C=CC(=NNc2ccc(O)cc2)c2cccnc21 ZINC000111936092 364768479 /nfs/dbraw/zinc/76/84/79/364768479.db2.gz ZFDWEJSXZLJYKE-QGOAFFKASA-N 0 0 265.272 2.356 10 30 CEEERN CCOC(=O)C1CC(OS(=O)(=O)c2ccc(C)cc2)C1 ZINC000113465892 364897356 /nfs/dbraw/zinc/89/73/56/364897356.db2.gz UUBYKQPQLBLTKH-UHFFFAOYSA-N 0 0 298.360 2.042 10 30 CEEERN CN(C)C(=O)CCNc1ccc(C#N)cc1Br ZINC000160060803 366969818 /nfs/dbraw/zinc/96/98/18/366969818.db2.gz GZDIPSLSVYSAKV-UHFFFAOYSA-N 0 0 296.168 2.211 10 30 CEEERN Cc1ccc(C#N)c(N2CCC(Cn3cccn3)CC2)n1 ZINC000161287510 367074617 /nfs/dbraw/zinc/07/46/17/367074617.db2.gz MDYKBADMIPKSOK-UHFFFAOYSA-N 0 0 281.363 2.375 10 30 CEEERN C#Cc1cccc(N(C)Cc2nnc(C)n2CC)c1 ZINC000171396885 367533451 /nfs/dbraw/zinc/53/34/51/367533451.db2.gz PABUOGIECAKRMR-UHFFFAOYSA-N 0 0 254.337 2.224 10 30 CEEERN C=CCCC(=O)N1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000171434402 367542595 /nfs/dbraw/zinc/54/25/95/367542595.db2.gz XFUHWIFOUAMUQW-AGIUHOORSA-N 0 0 265.353 2.285 10 30 CEEERN C=CCOCCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000173445848 367910802 /nfs/dbraw/zinc/91/08/02/367910802.db2.gz TXNJHMCVMYQQPI-CQSZACIVSA-N 0 0 277.368 2.446 10 30 CEEERN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)CCCC#N)[C@@H](C)C2 ZINC000180594530 368388155 /nfs/dbraw/zinc/38/81/55/368388155.db2.gz JGXKULCRVCMPCH-WFASDCNBSA-N 0 0 292.404 2.452 10 30 CEEERN COc1ccc([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)cc1OC ZINC000181224994 368433446 /nfs/dbraw/zinc/43/34/46/368433446.db2.gz BLUFMNQWMJUYNI-SNVBAGLBSA-N 0 0 299.330 2.395 10 30 CEEERN C#Cc1cccc(N(C)C[C@H](O)COCCCC)c1 ZINC000195175598 370111833 /nfs/dbraw/zinc/11/18/33/370111833.db2.gz MWVVDMVETLYSCW-INIZCTEOSA-N 0 0 261.365 2.282 10 30 CEEERN O=C(NC1CC(F)(F)C1)c1ccc(C#CC2CC2)cn1 ZINC000223178380 370260631 /nfs/dbraw/zinc/26/06/31/370260631.db2.gz JEOMYJUQNMUSKR-UHFFFAOYSA-N 0 0 276.286 2.371 10 30 CEEERN CC(C)Cc1nnc(N=NCc2c[nH]c3ccccc23)n1N ZINC000227149362 370362126 /nfs/dbraw/zinc/36/21/26/370362126.db2.gz JWWYGUKSVIILIO-GIJQJNRQSA-N 0 0 297.366 2.118 10 30 CEEERN CO[C@@H](c1noc(-c2cc(C#N)cn2C)n1)C1CC1 ZINC000234772970 370542997 /nfs/dbraw/zinc/54/29/97/370542997.db2.gz YDXLWADMVXRIGY-LLVKDONJSA-N 0 0 258.281 2.044 10 30 CEEERN CC(C)(C)[C@@H](O)CNc1nc(Cl)c(C#N)s1 ZINC000287336101 376209642 /nfs/dbraw/zinc/20/96/42/376209642.db2.gz MSQDGINWVSSQPE-ZETCQYMHSA-N 0 0 259.762 2.487 10 30 CEEERN C=CCOc1ccccc1C(=O)N1CC[C@@H](O)C[C@H]1C ZINC000640802839 372147428 /nfs/dbraw/zinc/14/74/28/372147428.db2.gz OCKMHJQTOYSNRS-CHWSQXEVSA-N 0 0 275.348 2.237 10 30 CEEERN N#Cc1cnc(NCc2ccc3c(c2)CCCN3)cn1 ZINC000381487056 375174283 /nfs/dbraw/zinc/17/42/83/375174283.db2.gz PCGCHCNSMFJFIC-UHFFFAOYSA-N 0 0 265.320 2.318 10 30 CEEERN C=CCOc1ccccc1C(=O)N1C[C@@H](C)C[C@H](O)C1 ZINC000401609411 375374061 /nfs/dbraw/zinc/37/40/61/375374061.db2.gz IIIMCOXUSYYNJG-STQMWFEESA-N 0 0 275.348 2.094 10 30 CEEERN N#Cc1ccc(N2C[C@@H](F)C[C@H]2CO)c(Br)c1 ZINC000334282247 206306830 /nfs/dbraw/zinc/30/68/30/206306830.db2.gz UBSABOSCMVCOGE-UWVGGRQHSA-N 0 0 299.143 2.230 10 30 CEEERN C#CCN[C@@H](C#N)c1csc(Br)c1 ZINC000306721687 376554133 /nfs/dbraw/zinc/55/41/33/376554133.db2.gz FCHDCTXGJBDDTO-QMMMGPOBSA-N 0 0 255.140 2.298 10 30 CEEERN C=CCO[C@@H]1CCN(c2snc(Cl)c2C#N)C1 ZINC000302168612 379326971 /nfs/dbraw/zinc/32/69/71/379326971.db2.gz PMWXHSZEIKDKRX-MRVPVSSYSA-N 0 0 269.757 2.449 10 30 CEEERN CCOC(=O)N1CCC(Nc2c(C#N)cccc2C#N)CC1 ZINC000302840621 379462497 /nfs/dbraw/zinc/46/24/97/379462497.db2.gz LROFPCPTIXHTJQ-UHFFFAOYSA-N 0 0 298.346 2.463 10 30 CEEERN C#CC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000405479736 542270666 /nfs/dbraw/zinc/27/06/66/542270666.db2.gz LQRXESSIYFCWCT-UHFFFAOYSA-N 0 0 251.326 2.226 10 30 CEEERN C=CC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000405719322 542274182 /nfs/dbraw/zinc/27/41/82/542274182.db2.gz DDEIKLJNVLXVOB-SNVBAGLBSA-N 0 0 271.382 2.484 10 30 CEEERN COc1ccc(CNC(=O)[C@H](C#N)C(C)C)cc1OC ZINC000044823133 184560449 /nfs/dbraw/zinc/56/04/49/184560449.db2.gz GOXKORWCIAUADO-GFCCVEGCSA-N 0 0 276.336 2.116 10 30 CEEERN CCCOCCOCC[C@@H]1CCC[C@]1(C#N)NCC ZINC000093579875 184692121 /nfs/dbraw/zinc/69/21/21/184692121.db2.gz WABQTNJMWNPLHW-LSDHHAIUSA-N 0 0 268.401 2.492 10 30 CEEERN COC(=O)C(C)(C)COc1cccc(F)c1C#N ZINC000093703544 184707972 /nfs/dbraw/zinc/70/79/72/184707972.db2.gz SFBUTQZHHGGAMK-UHFFFAOYSA-N 0 0 251.257 2.275 10 30 CEEERN CCN(CC(F)(F)F)[C@H]1CC[C@@](C#N)(NC2CC2)C1 ZINC000093801762 184723334 /nfs/dbraw/zinc/72/33/34/184723334.db2.gz XZBNZYIAKWLMEB-NWDGAFQWSA-N 0 0 275.318 2.437 10 30 CEEERN CN[C@]1(C#N)CC[C@H](Oc2cccc(F)c2F)C1 ZINC000093805557 184724271 /nfs/dbraw/zinc/72/42/71/184724271.db2.gz ZHFDDCBEQUGFKP-TVQRCGJNSA-N 0 0 252.264 2.378 10 30 CEEERN CC[C@H](C)N(C)C(=O)c1csc(C#CCCO)c1 ZINC000093974132 184746980 /nfs/dbraw/zinc/74/69/80/184746980.db2.gz NNDRHNIZPQIYFA-NSHDSACASA-N 0 0 265.378 2.353 10 30 CEEERN Cc1nn(C)c(N[C@H]2CCc3cc(N)ccc32)c1C#N ZINC000094093206 184755170 /nfs/dbraw/zinc/75/51/70/184755170.db2.gz HEXMFWXLVGJHJC-AWEZNQCLSA-N 0 0 267.336 2.282 10 30 CEEERN N#CCc1nc2ccccc2n1Cc1cnc(N)s1 ZINC000094193709 184761480 /nfs/dbraw/zinc/76/14/80/184761480.db2.gz DTLLMVASFLPNRJ-UHFFFAOYSA-N 0 0 269.333 2.189 10 30 CEEERN N#Cc1ccc(C(F)(F)F)nc1OC[C@@H]1CCOC1 ZINC000094335739 184783107 /nfs/dbraw/zinc/78/31/07/184783107.db2.gz QAJBKKQECAPUMB-MRVPVSSYSA-N 0 0 272.226 2.387 10 30 CEEERN C#CCN1C(=O)N=C(N)[C@]12CCC(C)(C)c1ccccc12 ZINC000094516648 184813218 /nfs/dbraw/zinc/81/32/18/184813218.db2.gz XIRQCWWFMAPXCV-QGZVFWFLSA-N 0 0 281.359 2.379 10 30 CEEERN COC(=O)[C@H](Nc1ccc(C#N)c(N)c1)c1ccccc1 ZINC000094590786 184822070 /nfs/dbraw/zinc/82/20/70/184822070.db2.gz FWQPOXBFUHKSGO-OAHLLOKOSA-N 0 0 281.315 2.467 10 30 CEEERN CN(C)C(=O)c1ccc(N(C)c2cccc(C#N)c2)nc1 ZINC000095008171 184914815 /nfs/dbraw/zinc/91/48/15/184914815.db2.gz HPNABMOTALZYDF-UHFFFAOYSA-N 0 0 280.331 2.423 10 30 CEEERN CN1CCN([C@H](CC#N)c2ccccc2)C(C)(C)C1=O ZINC000094865866 184884006 /nfs/dbraw/zinc/88/40/06/184884006.db2.gz BTCJSYFZXSCLRE-CQSZACIVSA-N 0 0 271.364 2.194 10 30 CEEERN Cc1nc2cc(-n3ccnc3C#N)c(N)cc2s1 ZINC000094936429 184896494 /nfs/dbraw/zinc/89/64/94/184896494.db2.gz JDPVIYBHNXQMTN-UHFFFAOYSA-N 0 0 255.306 2.244 10 30 CEEERN C[C@H]1NC(=O)CC[C@@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000281746298 195362201 /nfs/dbraw/zinc/36/22/01/195362201.db2.gz XKYZEUPMDFRORD-PELKAZGASA-N 0 0 263.728 2.291 10 30 CEEERN C=C(Br)CN1CCC[C@H]1c1cnn(C)c1 ZINC000264002040 131376497 /nfs/dbraw/zinc/37/64/97/131376497.db2.gz AXOODXQKJVFBMA-NSHDSACASA-N 0 0 270.174 2.466 10 30 CEEERN COc1cc(CN[C@H]2CCC[C@@H]2C#N)cc(OC)c1OC ZINC000061891036 394569123 /nfs/dbraw/zinc/56/91/23/394569123.db2.gz QEMPPXFEYBLRFE-OLZOCXBDSA-N 0 0 290.363 2.494 10 30 CEEERN C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000048880302 394535041 /nfs/dbraw/zinc/53/50/41/394535041.db2.gz XUHFBOWREWHZRZ-SNVBAGLBSA-N 0 0 299.355 2.436 10 30 CEEERN C=CCC(CC=C)C(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000120974736 394789580 /nfs/dbraw/zinc/78/95/80/394789580.db2.gz PSXIHVXWOBBAIZ-ZDUSSCGKSA-N 0 0 291.351 2.046 10 30 CEEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000135171719 394963668 /nfs/dbraw/zinc/96/36/68/394963668.db2.gz FIKLXUROPBZATI-IAQYHMDHSA-N 0 0 276.384 2.394 10 30 CEEERN Cc1csc([C@H]2CN(CCCSCC#N)CCO2)n1 ZINC000173876188 395116940 /nfs/dbraw/zinc/11/69/40/395116940.db2.gz QVQVZHKWHPEQQD-GFCCVEGCSA-N 0 0 297.449 2.472 10 30 CEEERN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000182599677 395245346 /nfs/dbraw/zinc/24/53/46/395245346.db2.gz IXZBHKHWCUFOJF-AAEUAGOBSA-N 0 0 277.368 2.247 10 30 CEEERN COc1ccc([C@H](C)NC(=O)NC[C@@H](C)C#N)cc1OC ZINC000182586884 395245664 /nfs/dbraw/zinc/24/56/64/395245664.db2.gz JGMKNSSKBGUHOZ-QWRGUYRKSA-N 0 0 291.351 2.224 10 30 CEEERN COC(=O)c1c(C#N)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575344029 395660409 /nfs/dbraw/zinc/66/04/09/395660409.db2.gz MRTMRPADFQEYBN-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN CCOC(=O)Cc1ccc(OC)c(C#N)c1Cl ZINC000575382786 395662342 /nfs/dbraw/zinc/66/23/42/395662342.db2.gz GLJDRWKEPRZXJZ-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C#N)c1Cl ZINC000575382862 395662349 /nfs/dbraw/zinc/66/23/49/395662349.db2.gz JFKZWVLMYUHXJD-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1cc(Cl)cc(OC)c1C#N ZINC000575382805 395662392 /nfs/dbraw/zinc/66/23/92/395662392.db2.gz XXTSSUZEZDVTIX-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)c1c(C#N)c(Cl)ccc1[N+](=O)[O-] ZINC000575382872 395662394 /nfs/dbraw/zinc/66/23/94/395662394.db2.gz LCDQJCRPYANSTP-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1c(Cl)ccc(C#N)c1[N+](=O)[O-] ZINC000575382946 395662552 /nfs/dbraw/zinc/66/25/52/395662552.db2.gz WSPRJUNFPZTDKS-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1Br ZINC000575383590 395662586 /nfs/dbraw/zinc/66/25/86/395662586.db2.gz RHQMMEBCXVOCPC-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCOC(=O)c1c(C#N)c(Br)ccc1[N+](=O)[O-] ZINC000575383633 395662604 /nfs/dbraw/zinc/66/26/04/395662604.db2.gz VXEHCDYOZHGVNR-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(Br)c1[N+](=O)[O-] ZINC000575383522 395662633 /nfs/dbraw/zinc/66/26/33/395662633.db2.gz NZUQPZZVEQUAPE-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCc1cc(C#N)c(CC(=O)OC)c(OC(F)F)c1 ZINC000575385483 395662857 /nfs/dbraw/zinc/66/28/57/395662857.db2.gz UOELAOPIQREMAA-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)cc(F)c1C#N ZINC000575385992 395662960 /nfs/dbraw/zinc/66/29/60/395662960.db2.gz SBGPWQIARKTYDM-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN COC(=O)Cc1cc(C#N)cc(C)c1OC(F)F ZINC000575387248 395663140 /nfs/dbraw/zinc/66/31/40/395663140.db2.gz FNXFMWHJXHIRCU-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)Cc1cc(C(F)F)cc(C#N)c1CO ZINC000575388133 395663348 /nfs/dbraw/zinc/66/33/48/395663348.db2.gz YJYRHKNBZNRQGQ-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)Cc1ccc(C(F)F)c(C#N)c1O ZINC000575388045 395663417 /nfs/dbraw/zinc/66/34/17/395663417.db2.gz SULWVVWEYCRKSA-UHFFFAOYSA-N 0 0 255.220 2.307 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C=O)cc1C(F)F ZINC000575387647 395663484 /nfs/dbraw/zinc/66/34/84/395663484.db2.gz KMBPTISWUWONKH-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(C(F)F)c1C=O ZINC000575389864 395664060 /nfs/dbraw/zinc/66/40/60/395664060.db2.gz SAPSSYCWVXSGIH-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN COC(=O)c1cc(Br)c(C#N)cc1C ZINC000306409932 400333297 /nfs/dbraw/zinc/33/32/97/400333297.db2.gz KJDJPPYREANIRT-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN CC[C@@](C)(CCO)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000228610669 153367595 /nfs/dbraw/zinc/36/75/95/153367595.db2.gz JCJOLNSFIWRFKY-ZDUSSCGKSA-N 0 0 263.297 2.429 10 30 CEEERN N#Cc1cnn(C(=O)[C@H]2C[C@@H]2C2CCCCC2)c1N ZINC000175704663 165142974 /nfs/dbraw/zinc/14/29/74/165142974.db2.gz CUNBWZQGUVDLSB-NEPJUHHUSA-N 0 0 258.325 2.194 10 30 CEEERN S=C(N/N=C/c1ccco1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004322496 169957701 /nfs/dbraw/zinc/95/77/01/169957701.db2.gz NJMBYJHZQIWARO-XUKPQNFMSA-N 0 0 263.366 2.266 10 30 CEEERN Cc1cc(=O)[nH]c(SCCOc2ccc(C#N)cc2)n1 ZINC000005646403 170123577 /nfs/dbraw/zinc/12/35/77/170123577.db2.gz DDDOYXTZAVMJSQ-UHFFFAOYSA-N 0 0 287.344 2.121 10 30 CEEERN CC(=NNC1N=NC(=S)N1)c1ccc(F)cc1 ZINC000005889421 170150721 /nfs/dbraw/zinc/15/07/21/170150721.db2.gz SJCNIQHPJXQQLQ-MLPAPPSSSA-N 0 0 251.290 2.069 10 30 CEEERN C=CCOc1ccc(CNc2nc[nH]n2)cc1OCC ZINC000006537923 170211863 /nfs/dbraw/zinc/21/18/63/170211863.db2.gz VPWAANAWCMRWSY-UHFFFAOYSA-N 0 0 274.324 2.380 10 30 CEEERN Cc1ccc(S(=O)(=O)NC2=CC(=O)C(=O)C(C)=C2)cc1 ZINC000006858589 170250207 /nfs/dbraw/zinc/25/02/07/170250207.db2.gz JGSAMSJWOYSXCR-PTNGSMBKSA-N 0 0 291.328 2.096 10 30 CEEERN COc1ccc(C(C)=NNc2cn[nH]c(=O)c2Cl)cc1 ZINC000007030875 170262710 /nfs/dbraw/zinc/26/27/10/170262710.db2.gz BKDGYBTXLWWNAS-LZYBPNLTSA-N 0 0 292.726 2.268 10 30 CEEERN NC(=NC(=O)c1cccs1)Nc1nc2ccccc2o1 ZINC000008382093 170334022 /nfs/dbraw/zinc/33/40/22/170334022.db2.gz ULIPDNALLLCFPK-UHFFFAOYSA-N 0 0 286.316 2.456 10 30 CEEERN NC(=S)N/N=C/C(Br)=C\c1ccccc1 ZINC000008552771 170339989 /nfs/dbraw/zinc/33/99/89/170339989.db2.gz YFFZKDMAFFSNTO-KTKDNUBYSA-N 0 0 284.182 2.241 10 30 CEEERN C=CCNC(=S)NC(=O)c1cccc(OCCC)c1 ZINC000008566432 170340602 /nfs/dbraw/zinc/34/06/02/170340602.db2.gz WZNSBLIPNHMGLC-UHFFFAOYSA-N 0 0 278.377 2.266 10 30 CEEERN N#CCc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000019816651 170881282 /nfs/dbraw/zinc/88/12/82/170881282.db2.gz AMYSWDPADAUQFT-UHFFFAOYSA-N 0 0 258.321 2.144 10 30 CEEERN CC(=O)CN=C1N=C(Nc2nc3ccccc3s2)S1 ZINC000020161541 171041061 /nfs/dbraw/zinc/04/10/61/171041061.db2.gz HZPPSGHDOQIKSE-UHFFFAOYSA-N 0 0 290.373 2.178 10 30 CEEERN CCOc1cc2c(cc1CNCCC#N)O[C@@H](C)C2 ZINC000020199324 171062955 /nfs/dbraw/zinc/06/29/55/171062955.db2.gz XPPIQISNXKJNAM-NSHDSACASA-N 0 0 260.337 2.412 10 30 CEEERN C[C@H](C#N)CS(=O)(=O)c1ccc(Br)s1 ZINC000020223398 171085569 /nfs/dbraw/zinc/08/55/69/171085569.db2.gz GQCTUOXAOARNRY-ZCFIWIBFSA-N 0 0 294.195 2.444 10 30 CEEERN C[C@H](Nc1cccc(C#N)c1)C(=O)NC1CCCC1 ZINC000020309129 171143235 /nfs/dbraw/zinc/14/32/35/171143235.db2.gz KBNJACQRAWMZIS-NSHDSACASA-N 0 0 257.337 2.417 10 30 CEEERN C=CCn1c(SCCOC)nnc1C(F)(F)F ZINC000020839958 171275463 /nfs/dbraw/zinc/27/54/63/171275463.db2.gz QQSVHPAIHNOJDL-UHFFFAOYSA-N 0 0 267.276 2.221 10 30 CEEERN C#CCOc1ccc([N+](=O)[O-])cc1C(=O)NCCCC ZINC000033605623 171814603 /nfs/dbraw/zinc/81/46/03/171814603.db2.gz BNNHAQLPTDVJRX-UHFFFAOYSA-N 0 0 276.292 2.137 10 30 CEEERN S=C1N=NC([C@H]2CCCO2)N1N=Cc1cccs1 ZINC000034882047 171890872 /nfs/dbraw/zinc/89/08/72/171890872.db2.gz WJQRXOFRMBACLU-JBBGTMGVSA-N 0 0 280.378 2.362 10 30 CEEERN Cc1cc(Oc2cccc(C#N)c2)ccc1S(N)(=O)=O ZINC000035278744 172097183 /nfs/dbraw/zinc/09/71/83/172097183.db2.gz RKYZKFNSXPMYKG-UHFFFAOYSA-N 0 0 288.328 2.306 10 30 CEEERN N#C[C@@H](NC1CC1)c1cc2c(c(Br)c1)OCO2 ZINC000036924748 172807515 /nfs/dbraw/zinc/80/75/15/172807515.db2.gz OPTSRPMSJQJQCV-SNVBAGLBSA-N 0 0 295.136 2.494 10 30 CEEERN N#C[C@H](NC1CC1)c1cc2c(c(Cl)c1)OCO2 ZINC000036924751 172807965 /nfs/dbraw/zinc/80/79/65/172807965.db2.gz UCAXTAMULRXZEE-JTQLQIEISA-N 0 0 250.685 2.385 10 30 CEEERN CSc1nn(-c2ccc(F)cc2F)c(N)c1C#N ZINC000036929494 172811233 /nfs/dbraw/zinc/81/12/33/172811233.db2.gz CFKGXTDEFLGHGW-UHFFFAOYSA-N 0 0 266.276 2.326 10 30 CEEERN CC[C@H](C)CN(C)C(=O)c1ccccc1C#CCO ZINC000037567762 173516426 /nfs/dbraw/zinc/51/64/26/173516426.db2.gz ZQKKDLPUUPGIEP-ZDUSSCGKSA-N 0 0 259.349 2.149 10 30 CEEERN N#CCc1ccc(Oc2ncc(N)cc2C#N)cc1 ZINC000037759244 173685211 /nfs/dbraw/zinc/68/52/11/173685211.db2.gz OGKVEMCSZPROHS-UHFFFAOYSA-N 0 0 250.261 2.394 10 30 CEEERN N#CCCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000040691461 174377376 /nfs/dbraw/zinc/37/73/76/174377376.db2.gz YEFAFVJTOMFMRG-UHFFFAOYSA-N 0 0 295.751 2.080 10 30 CEEERN CN(Cc1ccc(C#CCO)cc1)C(=O)c1ccccc1 ZINC000042325098 174685382 /nfs/dbraw/zinc/68/53/82/174685382.db2.gz DZHZLFJQRJVBKZ-UHFFFAOYSA-N 0 0 279.339 2.303 10 30 CEEERN CN(CC/C(N)=N/O)C(=O)c1csc2ccccc21 ZINC000042892583 174902527 /nfs/dbraw/zinc/90/25/27/174902527.db2.gz LOUSMUJWSLBGIR-UHFFFAOYSA-N 0 0 277.349 2.110 10 30 CEEERN O=c1oc2ccccc2n1Cc1ccc(C#CCCO)s1 ZINC000043682214 175090856 /nfs/dbraw/zinc/09/08/56/175090856.db2.gz GMEJVNUQRVUVSV-UHFFFAOYSA-N 0 0 299.351 2.438 10 30 CEEERN Cc1cc(C)n(Cc2sccc2C#CCCO)n1 ZINC000043682283 175091220 /nfs/dbraw/zinc/09/12/20/175091220.db2.gz FQJIQQZFSGCPOU-UHFFFAOYSA-N 0 0 260.362 2.344 10 30 CEEERN Cc1cccc(=O)n1Cc1cc(C#CCCO)cs1 ZINC000043698897 175096731 /nfs/dbraw/zinc/09/67/31/175096731.db2.gz BHTNXDXJEPVRNW-UHFFFAOYSA-N 0 0 273.357 2.000 10 30 CEEERN CCN(C(=O)C1(C#N)CCOCC1)c1ccccc1 ZINC000044765082 175249031 /nfs/dbraw/zinc/24/90/31/175249031.db2.gz RUHSDBLSCOGVIE-UHFFFAOYSA-N 0 0 258.321 2.360 10 30 CEEERN CCCC(C#N)(CCC)C(=O)NC[C@@H]1CCCO1 ZINC000044811871 175258032 /nfs/dbraw/zinc/25/80/32/175258032.db2.gz WCGRGZKKBAHIPR-LBPRGKRZSA-N 0 0 252.358 2.392 10 30 CEEERN CCN(C[C@@H]1CCCO1)C(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044824557 175259266 /nfs/dbraw/zinc/25/92/66/175259266.db2.gz XZQUYRMQZGUSLF-CVEARBPZSA-N 0 0 286.375 2.396 10 30 CEEERN CN(CC(C)(C)C)C(=O)c1ccccc1C#CCO ZINC000045091789 175305866 /nfs/dbraw/zinc/30/58/66/175305866.db2.gz SCDLDPIUOJCCMT-UHFFFAOYSA-N 0 0 259.349 2.149 10 30 CEEERN CC1(C)C[C@H]1NC(=O)c1cc(F)ccc1C#CCCO ZINC000045140897 175315349 /nfs/dbraw/zinc/31/53/49/175315349.db2.gz USENOJPQCKLHPN-CQSZACIVSA-N 0 0 275.323 2.088 10 30 CEEERN CCCN(CC(F)(F)F)C[C@@](C)(C#N)NC1CC1 ZINC000045176860 175323541 /nfs/dbraw/zinc/32/35/41/175323541.db2.gz ATAIRJMQLGAKKL-LLVKDONJSA-N 0 0 263.307 2.295 10 30 CEEERN CCc1c(C)nn(CC[C@](C)(C#N)NC2CC2)c1C ZINC000045207141 175328451 /nfs/dbraw/zinc/32/84/51/175328451.db2.gz NUMIQNPRMACVTC-OAHLLOKOSA-N 0 0 260.385 2.487 10 30 CEEERN CN[C@@](C#N)(COCCOC(C)C)c1ccccc1 ZINC000045208633 175328654 /nfs/dbraw/zinc/32/86/54/175328654.db2.gz BDNZYYBEXFJNSF-HNNXBMFYSA-N 0 0 262.353 2.066 10 30 CEEERN C[C@@](C#N)(CCn1ccc(C(F)(F)F)n1)NC1CC1 ZINC000045207205 175328939 /nfs/dbraw/zinc/32/89/39/175328939.db2.gz OCWNWUIWZHTCSZ-NSHDSACASA-N 0 0 272.274 2.326 10 30 CEEERN C[C@@](N)(C#N)CCOc1c(F)c(F)c(F)c(F)c1F ZINC000045213743 175329244 /nfs/dbraw/zinc/32/92/44/175329244.db2.gz KNQRAZJLLVSVBT-NSHDSACASA-N 0 0 280.196 2.392 10 30 CEEERN C[C@](N)(C#N)CCOc1c(F)c(F)c(F)c(F)c1F ZINC000045213740 175329257 /nfs/dbraw/zinc/32/92/57/175329257.db2.gz KNQRAZJLLVSVBT-LLVKDONJSA-N 0 0 280.196 2.392 10 30 CEEERN COc1ccc(OC[C@@](C)(C#N)NC(C)C)c([N+](=O)[O-])c1 ZINC000045214548 175329362 /nfs/dbraw/zinc/32/93/62/175329362.db2.gz OYXHOGZDPIOFNH-CQSZACIVSA-N 0 0 293.323 2.262 10 30 CEEERN CCCc1cc(=O)[nH]c(SCC[C@@](C)(C#N)NCC)n1 ZINC000045218540 175330056 /nfs/dbraw/zinc/33/00/56/175330056.db2.gz MKIWITKALPNHFO-AWEZNQCLSA-N 0 0 294.424 2.096 10 30 CEEERN CN[C@@](C#N)(CSc1cnn(C)c1)c1ccccc1 ZINC000045220856 175330092 /nfs/dbraw/zinc/33/00/92/175330092.db2.gz SODUCGFHKPAERS-AWEZNQCLSA-N 0 0 272.377 2.151 10 30 CEEERN CCN[C@@](C)(C#N)CCSc1nnc(C)s1 ZINC000045220016 175330186 /nfs/dbraw/zinc/33/01/86/175330186.db2.gz VWYQCWYOTMKUFM-SNVBAGLBSA-N 0 0 256.400 2.221 10 30 CEEERN COCCCOCCCC[C@@](C)(C#N)NC(C)C ZINC000045323204 175359806 /nfs/dbraw/zinc/35/98/06/175359806.db2.gz UUJPMFKOSAHROY-AWEZNQCLSA-N 0 0 256.390 2.490 10 30 CEEERN CCCN[C@@H](C#N)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000045332374 175360390 /nfs/dbraw/zinc/36/03/90/175360390.db2.gz URDKZIUYFIYYSU-VIFPVBQESA-N 0 0 267.260 2.004 10 30 CEEERN OCCC#Cc1cc(COC2CCOCC2)ccc1F ZINC000049622175 175495437 /nfs/dbraw/zinc/49/54/37/175495437.db2.gz PKCBVWCJIQVPLO-UHFFFAOYSA-N 0 0 278.323 2.255 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000061889414 175657568 /nfs/dbraw/zinc/65/75/68/175657568.db2.gz KRAUABXCWCDADH-CABZTGNLSA-N 0 0 274.280 2.409 10 30 CEEERN O=C(Nc1ccccc1C#CCCO)[C@H]1CCSC1 ZINC000070437879 175932166 /nfs/dbraw/zinc/93/21/66/175932166.db2.gz GRPHKOIFQAVGCV-ZDUSSCGKSA-N 0 0 275.373 2.112 10 30 CEEERN N#Cc1ccc(OCC[NH2+][C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000070571287 175987102 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CEEERN CC(C)[C@H](C#N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943270 519808984 /nfs/dbraw/zinc/80/89/84/519808984.db2.gz FXOUXWQVCOWRPR-LBPRGKRZSA-N 0 0 261.281 2.007 10 30 CEEERN CCN[C@@](C)(C#N)CCOc1ccc([N+](=O)[O-])cc1OC ZINC000050506029 520128209 /nfs/dbraw/zinc/12/82/09/520128209.db2.gz AQIKSPNNVYCPDO-CQSZACIVSA-N 0 0 293.323 2.264 10 30 CEEERN CCN[C@@](C#N)(COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000069088281 520128615 /nfs/dbraw/zinc/12/86/15/520128615.db2.gz JXRFSAJHQUNFJS-AWEZNQCLSA-N 0 0 275.308 2.255 10 30 CEEERN CCN[C@](C)(C#N)CCSc1cc(C)nn1C ZINC000052311816 520225140 /nfs/dbraw/zinc/22/51/40/520225140.db2.gz UPFRROXYFAUXGL-LBPRGKRZSA-N 0 0 252.387 2.103 10 30 CEEERN CCOc1cc2c(cc1[C@H](C#N)NCCOC)O[C@@H](C)C2 ZINC000053256450 520801697 /nfs/dbraw/zinc/80/16/97/520801697.db2.gz SHPONPRQUNQWNB-FZMZJTMJSA-N 0 0 290.363 2.209 10 30 CEEERN CCN(CCC#N)C(=O)c1ccc([N+](=O)[O-])c(NC)c1 ZINC000054415143 520980254 /nfs/dbraw/zinc/98/02/54/520980254.db2.gz AXJWEQPTZYJMDW-UHFFFAOYSA-N 0 0 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CCc1c(C)nn(Cc2ccc(C#CCO)cc2)c1C ZINC000049619634 523716995 /nfs/dbraw/zinc/71/69/95/523716995.db2.gz KDDQFHIBEZGJTH-UHFFFAOYSA-N 0 0 268.360 2.454 10 30 CEEERN CN(C(=O)[C@@H](C#N)c1ccccc1)[C@@H]1CCSC1 ZINC000061614408 523891833 /nfs/dbraw/zinc/89/18/33/523891833.db2.gz CMZUWIMJCVZVAS-OLZOCXBDSA-N 0 0 260.362 2.258 10 30 CEEERN COC(=O)[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054828942 523932580 /nfs/dbraw/zinc/93/25/80/523932580.db2.gz KLFCZDYMQRJDJH-HZSPNIEDSA-N 0 0 258.321 2.183 10 30 CEEERN CNC(=O)CCCOc1ccc(C#N)cc1Cl ZINC000068818464 524065290 /nfs/dbraw/zinc/06/52/90/524065290.db2.gz IXHDGOZCZJATQM-UHFFFAOYSA-N 0 0 252.701 2.117 10 30 CEEERN C[C@@H]1CCCC[C@@H]1NC(=O)c1cncc(C#CCCO)c1 ZINC000049628339 524142979 /nfs/dbraw/zinc/14/29/79/524142979.db2.gz XLLUWVYCEKQZGM-CJNGLKHVSA-N 0 0 286.375 2.124 10 30 CEEERN Cc1cc(C(=O)Nc2cc(C#CCO)ccc2Cl)no1 ZINC000061691510 524159545 /nfs/dbraw/zinc/15/95/45/524159545.db2.gz CRXKALKKUVHXFW-UHFFFAOYSA-N 0 0 290.706 2.233 10 30 CEEERN COc1ccccc1N(C)CC[C@H](C#N)NC(C)C ZINC000062438196 524526111 /nfs/dbraw/zinc/52/61/11/524526111.db2.gz DNCWIHRWFJCZSK-CYBMUJFWSA-N 0 0 261.369 2.412 10 30 CEEERN Cc1cc(C)nc(NC(=O)[C@H](C#N)c2ccccc2)n1 ZINC000061614261 524586000 /nfs/dbraw/zinc/58/60/00/524586000.db2.gz IMZDTQQKGLCZKT-CYBMUJFWSA-N 0 0 266.304 2.339 10 30 CEEERN C[C@]1(Nc2ccc(C#N)cc2Cl)CCS(=O)(=O)C1 ZINC000062793819 525301243 /nfs/dbraw/zinc/30/12/43/525301243.db2.gz ATASTZOBKBWIJL-LBPRGKRZSA-N 0 0 284.768 2.201 10 30 CEEERN Cc1cccnc1C(=O)N[C@H](C#N)c1ccccc1 ZINC000051794545 525488008 /nfs/dbraw/zinc/48/80/08/525488008.db2.gz VDFYOTKFWXHORL-CYBMUJFWSA-N 0 0 251.289 2.385 10 30 CEEERN Cc1ccn(CCC(=O)Nc2ccccc2C#N)c(=O)c1 ZINC000061909250 525601290 /nfs/dbraw/zinc/60/12/90/525601290.db2.gz PVWNDCSULRXYDL-UHFFFAOYSA-N 0 0 281.315 2.057 10 30 CEEERN C[C@H](C#N)CN(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050016415 525920469 /nfs/dbraw/zinc/92/04/69/525920469.db2.gz PBWDDRROIJIEBT-SSDOTTSWSA-N 0 0 283.234 2.105 10 30 CEEERN COc1cccc(COc2ccc(C)cc2C#CCO)n1 ZINC000070094274 526060642 /nfs/dbraw/zinc/06/06/42/526060642.db2.gz QHKIOWAAYMZPEE-UHFFFAOYSA-N 0 0 283.327 2.321 10 30 CEEERN Cc1cc(C#CCO)ccc1OC[C@H]1CCCCO1 ZINC000063062812 526178689 /nfs/dbraw/zinc/17/86/89/526178689.db2.gz DHEZZOCPXWENFP-OAHLLOKOSA-N 0 0 260.333 2.287 10 30 CEEERN C[C@H](CC#N)N(C)CC(=O)c1ccc(F)c(F)c1 ZINC000063087384 526217542 /nfs/dbraw/zinc/21/75/42/526217542.db2.gz SZFYXTXTIDURIJ-SECBINFHSA-N 0 0 252.264 2.381 10 30 CEEERN N#CCN(CC#N)Cc1nc2sccc2c(Cl)n1 ZINC000050839868 526470991 /nfs/dbraw/zinc/47/09/91/526470991.db2.gz ODNKCWWACNLYLM-UHFFFAOYSA-N 0 0 277.740 2.194 10 30 CEEERN N#C[C@@H](C(=O)C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000061672470 526489638 /nfs/dbraw/zinc/48/96/38/526489638.db2.gz LLXMBAPORJCCFR-CYBMUJFWSA-N 0 0 287.315 2.061 10 30 CEEERN N#C[C@@H](C(=O)NCCc1ccc(O)cc1)c1ccccc1 ZINC000061614684 526491197 /nfs/dbraw/zinc/49/11/97/526491197.db2.gz YKYCMLYBMBHFOT-MRXNPFEDSA-N 0 0 280.327 2.358 10 30 CEEERN N#C[C@H](C(=O)[C@H]1CCOC1)c1cc(F)cc(F)c1 ZINC000049350516 526507105 /nfs/dbraw/zinc/50/71/05/526507105.db2.gz LJBHLDMXDRQJJU-UFBFGSQYSA-N 0 0 251.232 2.178 10 30 CEEERN N#C[C@](Cn1cc(Br)cn1)(NC1CC1)C1CC1 ZINC000069084352 526515049 /nfs/dbraw/zinc/51/50/49/526515049.db2.gz QXLQAYIXJSOCKU-GFCCVEGCSA-N 0 0 295.184 2.070 10 30 CEEERN N#C[C@]1(Nc2cccc(Cl)c2)CCCS(=O)(=O)C1 ZINC000069138904 526515974 /nfs/dbraw/zinc/51/59/74/526515974.db2.gz YNNDUCCHROGAAN-GFCCVEGCSA-N 0 0 284.768 2.223 10 30 CEEERN N#Cc1cc(COc2ccc(F)cc2C#CCO)ccn1 ZINC000068758752 526551862 /nfs/dbraw/zinc/55/18/62/526551862.db2.gz ZKTQQFGJLDMAKC-UHFFFAOYSA-N 0 0 282.274 2.015 10 30 CEEERN N#Cc1cc(N)ccc1NC(=O)c1ccc2c(c1)CCO2 ZINC000050891935 526563739 /nfs/dbraw/zinc/56/37/39/526563739.db2.gz FZODLUNLOIGKLD-UHFFFAOYSA-N 0 0 279.299 2.328 10 30 CEEERN N#Cc1ccc(CNC(=O)[C@@H](C#N)c2ccccc2)cc1 ZINC000061615505 526620941 /nfs/dbraw/zinc/62/09/41/526620941.db2.gz QUCJWMBDUKENOU-INIZCTEOSA-N 0 0 275.311 2.482 10 30 CEEERN O=C(c1ccc(C#CCCO)cc1F)N1C[C@@H]2CC[C@H]1C2 ZINC000049725195 526663503 /nfs/dbraw/zinc/66/35/03/526663503.db2.gz GSDCOHGJSZWZNX-KGLIPLIRSA-N 0 0 287.334 2.184 10 30 CEEERN N#Cc1ccc(Sc2nc(N)cc(=O)[nH]2)c(Cl)c1 ZINC000062794203 526686369 /nfs/dbraw/zinc/68/63/69/526686369.db2.gz IEELUUFURAWHLH-UHFFFAOYSA-N 0 0 278.724 2.028 10 30 CEEERN N#Cc1ccc(Sc2nnc3ccccn32)c(N)c1 ZINC000061405574 526687585 /nfs/dbraw/zinc/68/75/85/526687585.db2.gz ZUTIBFSQJKXDHC-UHFFFAOYSA-N 0 0 267.317 2.334 10 30 CEEERN Cc1occc1C(=O)NCc1ccccc1C#CCCO ZINC000049589239 526810356 /nfs/dbraw/zinc/81/03/56/526810356.db2.gz WQKCFPURODEWRH-UHFFFAOYSA-N 0 0 283.327 2.252 10 30 CEEERN OCC#Cc1cccc(CSc2ncccn2)c1 ZINC000049623115 527519490 /nfs/dbraw/zinc/51/94/90/527519490.db2.gz OEXSSJYNXBCXKG-UHFFFAOYSA-N 0 0 256.330 2.113 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000329232353 527806293 /nfs/dbraw/zinc/80/62/93/527806293.db2.gz FYDGPTHRFVOIBV-DMDPSCGWSA-N 0 0 292.383 2.303 10 30 CEEERN COc1c(O)ccc2c1ccc1c2C(=O)C=C(OC)C1=O ZINC000000899257 560179319 /nfs/dbraw/zinc/17/93/19/560179319.db2.gz BMYGDZTYQFCHKI-UHFFFAOYSA-N 0 0 284.267 2.463 10 30 biogenic,in-vitro CEEERN C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CCC[C@@](C)(O)[C@H]21 ZINC000004097991 560195197 /nfs/dbraw/zinc/19/51/97/560195197.db2.gz BVRDNJZFYKHRJQ-CWFCOSEVSA-N 0 0 250.338 2.435 10 30 biogenic,in-vitro CEEERN CC1=CC(=O)C[C@H](C)[C@]12CC[C@H]([C@](C)(O)CO)C2 ZINC000085637445 574416738 /nfs/dbraw/zinc/41/67/38/574416738.db2.gz FWLWCLDHPUPCHO-VIRABCJISA-N 0 0 252.354 2.071 10 30 endogenous,in-man CEEERN C=CCOc1ccc(/C=C\C(=O)N[C@H](C)C#N)cc1OC ZINC000255834442 625570348 /nfs/dbraw/zinc/57/03/48/625570348.db2.gz PYDONYKPTLFYPQ-XYLWRLHESA-N 0 0 286.331 2.301 10 30 CEEERN C[C@H](C#N)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000308795028 624199794 /nfs/dbraw/zinc/19/97/94/624199794.db2.gz IRJRYLXOTBLUKI-RXMQYKEDSA-N 0 0 288.532 2.139 10 30 CEEERN C#CCCOC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000170716448 639671085 /nfs/dbraw/zinc/67/10/85/639671085.db2.gz KVDGMEVGSAZGJH-UKRRQHHQSA-N 0 0 287.359 2.398 10 30 CEEERN C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCC[C@H]1C ZINC000230057405 639730724 /nfs/dbraw/zinc/73/07/24/639730724.db2.gz BPGLMRLSOFYGLN-VXGBXAGGSA-N 0 0 253.342 2.000 10 30 CEEERN CCc1nnc(NC2CC(OC)C2)c(C#N)c1CC ZINC000230598224 639771842 /nfs/dbraw/zinc/77/18/42/639771842.db2.gz RTWXMAQBMBOVLN-UHFFFAOYSA-N 0 0 260.341 2.062 10 30 CEEERN C#C[C@@H](OC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C1CC1 ZINC000152672715 640295490 /nfs/dbraw/zinc/29/54/90/640295490.db2.gz GBWBCJZDUWXUHU-UKRRQHHQSA-N 0 0 279.380 2.128 10 30 CEEERN Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000121532390 640349246 /nfs/dbraw/zinc/34/92/46/640349246.db2.gz XQXUSCMNKRQEFJ-IACUBPJLSA-N 0 0 286.331 2.210 10 30 CEEERN COC(=O)C1CCC(C(=O)O[C@H](C#N)C(C)C)CC1 ZINC000181063743 641503920 /nfs/dbraw/zinc/50/39/20/641503920.db2.gz VCKBGYQYHVPRMS-HTAVTVPLSA-N 0 0 267.325 2.057 10 30 CEEERN C#C[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185987818 642054829 /nfs/dbraw/zinc/05/48/29/642054829.db2.gz BGGVQTDJWDJCLX-DOTOQJQBSA-N 0 0 299.418 2.362 10 30 CEEERN CCCCCCCCCCNC(=O)[C@@H]1CNC(=O)C1 ZINC000122347171 648310387 /nfs/dbraw/zinc/31/03/87/648310387.db2.gz WHBPBDVNWSRDLN-ZDUSSCGKSA-N 0 0 268.401 2.379 10 30 CEEERN N#CCc1cn2cc(F)cc(Br)c2n1 ZINC000082693908 178188027 /nfs/dbraw/zinc/18/80/27/178188027.db2.gz PETWWRGGDAJBGG-UHFFFAOYSA-N 0 0 254.062 2.302 10 30 CEEERN N#Cc1cccc(N2C(=O)Cc3ccccc3C2=O)c1 ZINC000034938002 361797311 /nfs/dbraw/zinc/79/73/11/361797311.db2.gz IUAAYNNEDIEXMR-UHFFFAOYSA-N 0 0 262.268 2.288 10 30 CEEERN CCOC(=O)c1cnn(-c2ccc(F)cc2)c1C#N ZINC000034152898 361787750 /nfs/dbraw/zinc/78/77/50/361787750.db2.gz CTNNDBIRJRSKJF-UHFFFAOYSA-N 0 0 259.240 2.060 10 30 CEEERN CC(C)(C)OC(=O)Cc1cc2c(cc1C#N)OCO2 ZINC000034437118 361790254 /nfs/dbraw/zinc/79/02/54/361790254.db2.gz ATMFPVWZOXQTPR-UHFFFAOYSA-N 0 0 261.277 2.171 10 30 CEEERN Cc1cccnc1C(=O)Nc1ccc(C#N)cc1N ZINC000096601324 185108152 /nfs/dbraw/zinc/10/81/52/185108152.db2.gz WCJNBAMTZRTXHZ-UHFFFAOYSA-N 0 0 252.277 2.096 10 30 CEEERN N#Cc1ccc(NC(=O)c2cccc(N)c2)c([N+](=O)[O-])c1 ZINC000096601416 185108303 /nfs/dbraw/zinc/10/83/03/185108303.db2.gz CUYCPTPQHQVJIK-UHFFFAOYSA-N 0 0 282.259 2.301 10 30 CEEERN C=CCN(Cc1cccc(C(=O)OCC)c1)C(C)=O ZINC000096775483 185111917 /nfs/dbraw/zinc/11/19/17/185111917.db2.gz WNXRNUCYGQLICM-UHFFFAOYSA-N 0 0 261.321 2.398 10 30 CEEERN N#Cc1ccc(N2C(=O)N[C@@H](c3ccccc3)C2=O)cc1 ZINC000036756444 361854245 /nfs/dbraw/zinc/85/42/45/361854245.db2.gz FWWNEEJFSCZXSA-AWEZNQCLSA-N 0 0 277.283 2.356 10 30 CEEERN C=C(Br)CN1c2ccccc2C(=O)C1=O ZINC000037681606 361921265 /nfs/dbraw/zinc/92/12/65/361921265.db2.gz XDHGPFXZHPAYRF-UHFFFAOYSA-N 0 0 266.094 2.125 10 30 CEEERN C=CC[C@@H](C)n1cc(N)c(=O)c(Br)c1 ZINC000725249414 539194393 /nfs/dbraw/zinc/19/43/93/539194393.db2.gz ZKXFXUXMPSKNHJ-SSDOTTSWSA-N 0 0 257.131 2.330 10 30 CEEERN CCN(CC(=O)NC(C)C)c1ccc(C#N)cc1F ZINC000042388178 362090254 /nfs/dbraw/zinc/09/02/54/362090254.db2.gz GIZBQDANXGZDFY-UHFFFAOYSA-N 0 0 263.316 2.048 10 30 CEEERN C=CCCO[C@@H](C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126435951 187239041 /nfs/dbraw/zinc/23/90/41/187239041.db2.gz BWZPTRPQRKWFTN-AWEZNQCLSA-N 0 0 291.395 2.103 10 30 CEEERN COc1ccc(NC2=N/C(=N\CC(C)=O)S2)cc1 ZINC000005976179 343355522 /nfs/dbraw/zinc/35/55/22/343355522.db2.gz QYWRMPIYHFBPLE-UHFFFAOYSA-N 0 0 263.322 2.155 10 30 CEEERN CCOC(=O)c1ccc(C#Cc2cccc(N)n2)cc1 ZINC000039172597 343435431 /nfs/dbraw/zinc/43/54/31/343435431.db2.gz BVBXOQNWBVHKCS-UHFFFAOYSA-N 0 0 266.300 2.240 10 30 CEEERN CN(Cc1ccccc1)[C@H](C#N)CNC(=O)c1ccccc1 ZINC000039084912 343435474 /nfs/dbraw/zinc/43/54/74/343435474.db2.gz ABXDPNXTUCDOBN-QGZVFWFLSA-N 0 0 293.370 2.441 10 30 CEEERN C=CCN1c2ccc(NC(=O)CC)cc2O[C@@H](C)C1=O ZINC000012295797 136378755 /nfs/dbraw/zinc/37/87/55/136378755.db2.gz DEMNDFODLDAHEH-JTQLQIEISA-N 0 0 274.320 2.335 10 30 CEEERN CC1(COc2ncc(C#Cc3ccccc3)cn2)COC1 ZINC000116753650 344287379 /nfs/dbraw/zinc/28/73/79/344287379.db2.gz JAFFRNUGMGVUQH-UHFFFAOYSA-N 0 0 280.327 2.292 10 30 CEEERN N#Cc1cnc(F)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000116592290 344287410 /nfs/dbraw/zinc/28/74/10/344287410.db2.gz KHSBDNMFRJSCGC-UHFFFAOYSA-N 0 0 273.242 2.161 10 30 CEEERN COC(=O)C#Cc1ccc(C)cc1Br ZINC000129603805 344345858 /nfs/dbraw/zinc/34/58/58/344345858.db2.gz LRIBMRBMIVCHML-UHFFFAOYSA-N 0 0 253.095 2.282 10 30 CEEERN C#CC(=O)c1ncc(Br)cc1Br ZINC000133079769 344366764 /nfs/dbraw/zinc/36/67/64/344366764.db2.gz SZNHZMBHVXEVMZ-UHFFFAOYSA-N 0 0 288.926 2.423 10 30 CEEERN N#Cc1c(N)c(Cl)ccc1I ZINC000131874939 344361020 /nfs/dbraw/zinc/36/10/20/344361020.db2.gz WFQAYDMTQUPCSN-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN N#Cc1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000140233500 344397231 /nfs/dbraw/zinc/39/72/31/344397231.db2.gz HBEFYCBOALXSPM-UHFFFAOYSA-N 0 0 288.284 2.299 10 30 CEEERN C[C@H](O)CCOS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000142653868 344403930 /nfs/dbraw/zinc/40/39/30/344403930.db2.gz CRVGTPPEPRBSKF-QMMMGPOBSA-N 0 0 298.282 2.182 10 30 CEEERN N#Cc1ccc(Br)cc1SCCO ZINC000166045999 344475422 /nfs/dbraw/zinc/47/54/22/344475422.db2.gz OGWDUCNQJQVCSI-UHFFFAOYSA-N 0 0 258.140 2.405 10 30 CEEERN Clc1ncnc2cc(C#Cc3cn[nH]c3)sc21 ZINC000167925858 344479692 /nfs/dbraw/zinc/47/96/92/344479692.db2.gz LABVLXPNOLDWHB-UHFFFAOYSA-N 0 0 260.709 2.468 10 30 CEEERN Nc1nc(C#Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000168484062 344480306 /nfs/dbraw/zinc/48/03/06/344480306.db2.gz MTUHYJZORYSSFY-UHFFFAOYSA-N 0 0 275.214 2.250 10 30 CEEERN COc1cc(OC)c([C@H]2CC/C2=N\O)cc1OC ZINC000218331650 344536240 /nfs/dbraw/zinc/53/62/40/344536240.db2.gz RDYDJWGJKGQVBW-OATQHOELSA-N 0 0 251.282 2.420 10 30 CEEERN C#C[C@@H](C)Nc1nc(Cl)ncc1Br ZINC000229336106 344566102 /nfs/dbraw/zinc/56/61/02/344566102.db2.gz XGYJNYSKTGJDOH-RXMQYKEDSA-N 0 0 260.522 2.326 10 30 CEEERN C#C[C@@H](NN)c1cc(Cl)cc(Br)c1 ZINC000236177304 344594826 /nfs/dbraw/zinc/59/48/26/344594826.db2.gz RTHAGMNWWQJHSM-SECBINFHSA-N 0 0 259.534 2.240 10 30 CEEERN C#C[C@H](Nc1cc(Br)ncn1)C(C)C ZINC000300974602 344701949 /nfs/dbraw/zinc/70/19/49/344701949.db2.gz SPUVRSDZRQOIMP-QMMMGPOBSA-N 0 0 254.131 2.309 10 30 CEEERN CN1CCN(C(=O)C[C@H]2CCCCC2(C)C)C[C@@H]1C#N ZINC000336211132 530068523 /nfs/dbraw/zinc/06/85/23/530068523.db2.gz DDJYXJUAHBYQFR-KGLIPLIRSA-N 0 0 277.412 2.259 10 30 CEEERN COC(=O)[C@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000083798750 178748667 /nfs/dbraw/zinc/74/86/67/178748667.db2.gz FNIYAIZMAKXSRX-JTQLQIEISA-N 0 0 264.712 2.211 10 30 CEEERN OC[C@@H](Cc1ccccc1)/N=C/c1ccc(O)cc1 ZINC000584596418 344961363 /nfs/dbraw/zinc/96/13/63/344961363.db2.gz CDZGHMYAMBQADZ-QAEAHILHSA-N 0 0 255.317 2.415 10 30 CEEERN C=C1C[C@@](C)(CC[C@]2(C)CC(=C)C(=O)O2)OC1=O ZINC000584621459 344967198 /nfs/dbraw/zinc/96/71/98/344967198.db2.gz JMTOUEDMMJIXSA-ZIAGYGMSSA-N 0 0 250.294 2.290 10 30 CEEERN COc1ccc(CC/C(C)=N/O)c(OC)c1OC ZINC000584624435 344967921 /nfs/dbraw/zinc/96/79/21/344967921.db2.gz IXDAQLCGOXHXIS-NTEUORMPSA-N 0 0 253.298 2.495 10 30 CEEERN CC#CCOc1ccccc1CN1CCC(=O)CC1 ZINC000584636655 344971022 /nfs/dbraw/zinc/97/10/22/344971022.db2.gz JVKZMXKSLCZKNG-UHFFFAOYSA-N 0 0 257.333 2.254 10 30 CEEERN CO/C=C(\I)C(=O)C(C)C ZINC000584636336 344971335 /nfs/dbraw/zinc/97/13/35/344971335.db2.gz YTJUEXOXHJWOHY-XQRVVYSFSA-N 0 0 254.067 2.134 10 30 CEEERN Cc1cc(N[C@@H]2CCC[C@@H](O)C2)c(C#N)cc1[N+](=O)[O-] ZINC000591140122 345223854 /nfs/dbraw/zinc/22/38/54/345223854.db2.gz BIIDZMWIXOKZPQ-VXGBXAGGSA-N 0 0 275.308 2.490 10 30 CEEERN Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000592102634 345322720 /nfs/dbraw/zinc/32/27/20/345322720.db2.gz UAKSSZSCVMCCKB-BFHYXJOUSA-N 0 0 290.388 2.334 10 30 CEEERN N#Cc1ccsc1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135793843 232214741 /nfs/dbraw/zinc/21/47/41/232214741.db2.gz DXWBWFQWCSTCJK-CYBMUJFWSA-N 0 0 299.355 2.308 10 30 CEEERN C=CCn1ccc2ccn(Cc3ccncc3)c(=O)c21 ZINC000085346169 179028660 /nfs/dbraw/zinc/02/86/60/179028660.db2.gz BEYSYMIELIYQGJ-UHFFFAOYSA-N 0 0 265.316 2.432 10 30 CEEERN COc1ccc(CC(=O)N[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000061889084 362696067 /nfs/dbraw/zinc/69/60/67/362696067.db2.gz UZCWJTSHZCUDLJ-OLZOCXBDSA-N 0 0 288.347 2.055 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000061892548 362697821 /nfs/dbraw/zinc/69/78/21/362697821.db2.gz FLOONHDNAFVCMK-VHSXEESVSA-N 0 0 251.311 2.438 10 30 CEEERN N#Cc1cc(N[C@H]2CCOC[C@H]2O)ccc1C(F)(F)F ZINC000599175804 346473144 /nfs/dbraw/zinc/47/31/44/346473144.db2.gz HKRHNTJUBJDLMW-NWDGAFQWSA-N 0 0 286.253 2.139 10 30 CEEERN CCN(C[C@@H](C)C#N)C(=O)c1ccnc(Cl)c1[N+](=O)[O-] ZINC000085684849 179115141 /nfs/dbraw/zinc/11/51/41/179115141.db2.gz SJTWCADKXYRBKV-QMMMGPOBSA-N 0 0 296.714 2.265 10 30 CEEERN C=CCN1C(=O)[C@H](CCC)NC(=O)[C@H]1C1CCCCC1 ZINC000085714062 179126269 /nfs/dbraw/zinc/12/62/69/179126269.db2.gz ICUQSNFZQJTYLP-UONOGXRCSA-N 0 0 278.396 2.248 10 30 CEEERN N#C[C@]1([C@H](O)c2ccc(Br)s2)CCOC1 ZINC000085884104 179196268 /nfs/dbraw/zinc/19/62/68/179196268.db2.gz GGEMDMGTRSIODW-NXEZZACHSA-N 0 0 288.166 2.474 10 30 CEEERN C=CCNc1ncc(C(=O)NC[C@H]2CCCC[C@H]2O)s1 ZINC000129599607 365877837 /nfs/dbraw/zinc/87/78/37/365877837.db2.gz DGPRIXCIZYYMSB-GHMZBOCLSA-N 0 0 295.408 2.022 10 30 CEEERN CCC(CC)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1N ZINC000085918242 179199758 /nfs/dbraw/zinc/19/97/58/179199758.db2.gz HFKVNUIVBRHODY-JTQLQIEISA-N 0 0 295.408 2.243 10 30 CEEERN C[C@@H]1[C@@H](C)CC[C@@H]1NS(=O)(=O)c1ccccc1C#N ZINC000086077971 179225745 /nfs/dbraw/zinc/22/57/45/179225745.db2.gz GJASYJWNGQLCMR-LOWVWBTDSA-N 0 0 278.377 2.271 10 30 CEEERN CCOC(=O)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000086037605 179221548 /nfs/dbraw/zinc/22/15/48/179221548.db2.gz UZDNMLGFKSKNJF-XEBKBJJBSA-N 0 0 272.348 2.152 10 30 CEEERN N#Cc1cc2c(nc1N[C@H]1CCC[C@H](O)C1)CCC2 ZINC000603865500 347393140 /nfs/dbraw/zinc/39/31/40/347393140.db2.gz KAFRWDFJZUJXTL-STQMWFEESA-N 0 0 257.337 2.157 10 30 CEEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000603865543 347393336 /nfs/dbraw/zinc/39/33/36/347393336.db2.gz MQEKRRAYFORMNF-GHMZBOCLSA-N 0 0 261.281 2.182 10 30 CEEERN CCOC(=O)C1(C=O)CC(OCc2ccccc2F)C1 ZINC000606302142 347464755 /nfs/dbraw/zinc/46/47/55/347464755.db2.gz DOBWEWGTHSZJAI-UHFFFAOYSA-N 0 0 280.295 2.253 10 30 CEEERN CCC(CC)(CC)NS(=O)(=O)c1ccc(C#N)cc1N ZINC000086642209 179315144 /nfs/dbraw/zinc/31/51/44/179315144.db2.gz ANNGKVQOKFHNSE-UHFFFAOYSA-N 0 0 295.408 2.388 10 30 CEEERN Cc1ccc(C#N)cc1N[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000086675794 179318555 /nfs/dbraw/zinc/31/85/55/179318555.db2.gz CCAHBVGRBUGIFH-TZMCWYRMSA-N 0 0 278.377 2.244 10 30 CEEERN N#Cc1cc(N[C@H]2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000613268855 348012933 /nfs/dbraw/zinc/01/29/33/348012933.db2.gz LTXJDVHGCYQSMT-JQWIXIFHSA-N 0 0 261.281 2.182 10 30 CEEERN CCCCCC(=O)N1CCN([C@@H](C#N)CCC)CC1 ZINC000104066568 185891442 /nfs/dbraw/zinc/89/14/42/185891442.db2.gz LCZQMCKNTAALPM-CQSZACIVSA-N 0 0 265.401 2.403 10 30 CEEERN C#CCN[C@]1(C(=O)OC)CCC[C@@H](C(C)C)CC1 ZINC000086950103 179368874 /nfs/dbraw/zinc/36/88/74/179368874.db2.gz XUKRMOZJOLXJJA-UKRRQHHQSA-N 0 0 251.370 2.357 10 30 CEEERN C[C@@H]1CCC[C@](O)(CNc2ccc(C#N)cc2N)C1 ZINC000087046997 179388260 /nfs/dbraw/zinc/38/82/60/179388260.db2.gz YTJXPWDBNJDTKT-IAQYHMDHSA-N 0 0 259.353 2.494 10 30 CEEERN C=C(CN1CCC(C)(C)CCC1=O)C(=O)OCC ZINC000087661147 179466381 /nfs/dbraw/zinc/46/63/81/179466381.db2.gz HROUVAADLSBSDF-UHFFFAOYSA-N 0 0 253.342 2.144 10 30 CEEERN COc1ccc(C#CCO)c(CSc2nccn2C)c1 ZINC000087788749 179486117 /nfs/dbraw/zinc/48/61/17/179486117.db2.gz QMTVKQOVSWGTIG-UHFFFAOYSA-N 0 0 288.372 2.065 10 30 CEEERN COC(=O)N1CCOCC[C@@H]1c1ccc(C#N)cc1 ZINC000616657471 348550676 /nfs/dbraw/zinc/55/06/76/348550676.db2.gz ATALIXSVMFFXMV-CYBMUJFWSA-N 0 0 260.293 2.088 10 30 CEEERN C[C@H](C#N)S(=O)(=O)NCCC1CCC(C)CC1 ZINC000088486208 179612416 /nfs/dbraw/zinc/61/24/16/179612416.db2.gz XQEQEMWIKCOVRT-MOENNCHZSA-N 0 0 258.387 2.034 10 30 CEEERN Cc1cncc(C(=O)Nc2ccccc2C#CCCO)c1 ZINC000088451818 179606687 /nfs/dbraw/zinc/60/66/87/179606687.db2.gz QWCRYMRXSZQZTO-UHFFFAOYSA-N 0 0 280.327 2.376 10 30 CEEERN CCN(c1ccccc1C)S(=O)(=O)[C@@H](C)C#N ZINC000088475153 179609944 /nfs/dbraw/zinc/60/99/44/179609944.db2.gz MMXUVMIJCJULAG-NSHDSACASA-N 0 0 252.339 2.063 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)NCc1ccccc1Cl ZINC000088474961 179610362 /nfs/dbraw/zinc/61/03/62/179610362.db2.gz IUAHMEIIWDGEEB-JTQLQIEISA-N 0 0 272.757 2.062 10 30 CEEERN CC[C@H](C#N)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C ZINC000088515513 179616375 /nfs/dbraw/zinc/61/63/75/179616375.db2.gz JXDWUVJWMXTHLN-QJPTWQEYSA-N 0 0 258.387 2.177 10 30 CEEERN COC(=O)c1ccnc(Oc2cccc(F)c2C#N)c1N ZINC000088804805 179675762 /nfs/dbraw/zinc/67/57/62/179675762.db2.gz PWEJEDXPVJXCGX-UHFFFAOYSA-N 0 0 287.250 2.253 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccnc(Cl)c1[N+](=O)[O-] ZINC000088806164 179675905 /nfs/dbraw/zinc/67/59/05/179675905.db2.gz DTVUNQBWLLRWGD-IONNQARKSA-N 0 0 294.698 2.065 10 30 CEEERN C=CCc1cc(N)ccc1O[C@@H]1CCCCNC1=O ZINC000089064535 179696614 /nfs/dbraw/zinc/69/66/14/179696614.db2.gz XOBPVJUCMPWRFJ-CQSZACIVSA-N 0 0 260.337 2.045 10 30 CEEERN C[C@@H]1NC(=O)CC[C@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000619651989 349209397 /nfs/dbraw/zinc/20/93/97/349209397.db2.gz ATURHQVKAFHYNL-CMPLNLGQSA-N 0 0 286.379 2.330 10 30 CEEERN Cc1cc(C)c(C#N)c(NC[C@H]2CCC[C@@H]2CO)n1 ZINC000089497364 179804383 /nfs/dbraw/zinc/80/43/83/179804383.db2.gz YFOUBYJLZGJNIS-CHWSQXEVSA-N 0 0 259.353 2.391 10 30 CEEERN N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@H]1CO ZINC000089497733 179804631 /nfs/dbraw/zinc/80/46/31/179804631.db2.gz RTPDLRPHBSHENZ-QWRGUYRKSA-N 0 0 275.308 2.287 10 30 CEEERN Cc1ncsc1CN(C)C(=O)[C@H](C#N)C(C)C ZINC000104430398 185999937 /nfs/dbraw/zinc/99/99/37/185999937.db2.gz DMYKNGKZNGEPRC-SNVBAGLBSA-N 0 0 251.355 2.206 10 30 CEEERN COCCCSc1ccc(F)cc1/C(N)=N/O ZINC000104432994 186000471 /nfs/dbraw/zinc/00/04/71/186000471.db2.gz IUEJWXOSYALFKP-UHFFFAOYSA-N 0 0 258.318 2.049 10 30 CEEERN C[C@@H](OCC[C@](C)(C#N)NC1CC1)C(F)(F)F ZINC000090674055 180021942 /nfs/dbraw/zinc/02/19/42/180021942.db2.gz OQFAAISAKBWNAY-PSASIEDQSA-N 0 0 250.264 2.378 10 30 CEEERN O=C(NCC#CCOc1cccnc1)Nc1ccc(F)cc1 ZINC000090742257 180035991 /nfs/dbraw/zinc/03/59/91/180035991.db2.gz KKMQIBRWQSVAKW-UHFFFAOYSA-N 0 0 299.305 2.425 10 30 CEEERN N#C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000306756389 539753881 /nfs/dbraw/zinc/75/38/81/539753881.db2.gz RFXWNRLJKCEOEG-HNNXBMFYSA-N 0 0 256.349 2.439 10 30 CEEERN Cc1ncn(CC2(CC#N)CC2)c(=O)c1Br ZINC000090766522 180038169 /nfs/dbraw/zinc/03/81/69/180038169.db2.gz RIOGYUGRPOUHTI-UHFFFAOYSA-N 0 0 282.141 2.008 10 30 CEEERN COc1cccc(N[C@@H](C#N)CC(=O)N2CCCC2)c1 ZINC000091324973 180134438 /nfs/dbraw/zinc/13/44/38/180134438.db2.gz IQDPYGUOSODSFR-CYBMUJFWSA-N 0 0 273.336 2.012 10 30 CEEERN CCN(CC)C(=O)C[C@H](C#N)NC1CCCCCC1 ZINC000091323166 180134776 /nfs/dbraw/zinc/13/47/76/180134776.db2.gz NWIUKGSPSARFLD-CQSZACIVSA-N 0 0 265.401 2.449 10 30 CEEERN COc1ccc(N[C@H](C#N)CC(=O)N2CCCCC2)cc1 ZINC000091325747 180135306 /nfs/dbraw/zinc/13/53/06/180135306.db2.gz AKZPHXGWJMDUBK-AWEZNQCLSA-N 0 0 287.363 2.402 10 30 CEEERN COc1ccc(S(=O)(=O)[C@]2(C#N)CC[C@H]2C)cc1 ZINC000091328150 180135613 /nfs/dbraw/zinc/13/56/13/180135613.db2.gz IJVBSMFKJFSCJP-MFKMUULPSA-N 0 0 265.334 2.161 10 30 CEEERN C[C@@H]1CC[C@@]1(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000091328118 180135920 /nfs/dbraw/zinc/13/59/20/180135920.db2.gz UVLCSRPGVVEYLK-SKDRFNHKSA-N 0 0 253.298 2.292 10 30 CEEERN C[C@H]1CC[C@]1(C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000091328121 180135980 /nfs/dbraw/zinc/13/59/80/180135980.db2.gz UVLCSRPGVVEYLK-JOYOIKCWSA-N 0 0 253.298 2.292 10 30 CEEERN CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(C#N)(SC)CC1 ZINC000091474467 180165231 /nfs/dbraw/zinc/16/52/31/180165231.db2.gz FWGGTJOVIXKUJC-OLZOCXBDSA-N 0 0 297.468 2.401 10 30 CEEERN CCCn1nc(C)c([N+](=O)[O-])c1N(CC)C[C@@H](C)C#N ZINC000091555942 180190042 /nfs/dbraw/zinc/19/00/42/180190042.db2.gz IYFUXXKNHHUWEK-JTQLQIEISA-N 0 0 279.344 2.496 10 30 CEEERN N#Cc1cnc2ccccc2c1NCC1CC(O)C1 ZINC000091525836 180179159 /nfs/dbraw/zinc/17/91/59/180179159.db2.gz OSZQDVOHFMUQIN-UHFFFAOYSA-N 0 0 253.305 2.289 10 30 CEEERN CCc1ccc(C(=O)NCc2cc(C#CCO)cs2)o1 ZINC000091763142 180248392 /nfs/dbraw/zinc/24/83/92/180248392.db2.gz LLQYOKIHCCGTIJ-UHFFFAOYSA-N 0 0 289.356 2.177 10 30 CEEERN COc1ccc(Cn2ccc([C@H](C)O)c2)cc1C#N ZINC000091799611 180258028 /nfs/dbraw/zinc/25/80/28/180258028.db2.gz RKOTTZOAQSLIPU-NSHDSACASA-N 0 0 256.305 2.470 10 30 CEEERN Cc1cc(OCCN2CCNC[C@@H]2C#N)ccc1C(C)C ZINC000091748106 180245408 /nfs/dbraw/zinc/24/54/08/180245408.db2.gz UDCQWQMLEWEPKU-HNNXBMFYSA-N 0 0 287.407 2.295 10 30 CEEERN C=CCNC(=O)[C@H](C)Sc1cc(N)ccc1C ZINC000091942015 180289987 /nfs/dbraw/zinc/28/99/87/180289987.db2.gz CJNKVSCKBLOAOX-JTQLQIEISA-N 0 0 250.367 2.360 10 30 CEEERN C[C@](O)(c1cccc(Cl)c1)[C@@]1(C#N)CCOC1 ZINC000091877735 180278839 /nfs/dbraw/zinc/27/88/39/180278839.db2.gz OYXWDYGFCRYGAY-QWHCGFSZSA-N 0 0 251.713 2.478 10 30 CEEERN N#CC1([C@@]2(O)CCc3ccccc3C2)CCOCC1 ZINC000091878146 180279073 /nfs/dbraw/zinc/27/90/73/180279073.db2.gz NJAUXTZQYSNIDU-MRXNPFEDSA-N 0 0 257.333 2.227 10 30 CEEERN COc1ccc([C@@H](O)C2(C#N)CCOCC2)c(OC)c1 ZINC000091880555 180279279 /nfs/dbraw/zinc/27/92/79/180279279.db2.gz QYXFDSGYHNWPRD-CQSZACIVSA-N 0 0 277.320 2.058 10 30 CEEERN Cn1cc([C@H](O)[C@]2(C#N)CCc3ccccc3C2)cn1 ZINC000091880982 180279302 /nfs/dbraw/zinc/27/93/02/180279302.db2.gz IJKVXHXPPFZBJX-JKSUJKDBSA-N 0 0 267.332 2.152 10 30 CEEERN CCCOc1ccc([C@H](O)[C@@]2(C#N)CCOC2)cc1 ZINC000091879448 180279470 /nfs/dbraw/zinc/27/94/70/180279470.db2.gz BGWCXRJPQKYWFY-LSDHHAIUSA-N 0 0 261.321 2.439 10 30 CEEERN N#CC1([C@H](O)c2ccccn2)Cc2ccccc2C1 ZINC000091881098 180279579 /nfs/dbraw/zinc/27/95/79/180279579.db2.gz PNFXXGGVGYRIJA-OAHLLOKOSA-N 0 0 250.301 2.424 10 30 CEEERN N#CC1([C@@H](O)[C@@H]2CCCOC2)Cc2ccccc2C1 ZINC000091884357 180280020 /nfs/dbraw/zinc/28/00/20/180280020.db2.gz XZKDRWFPPFYHKX-CABCVRRESA-N 0 0 257.333 2.083 10 30 CEEERN CSCC[C@H](O)[C@@]1(C#N)CCOc2ccccc21 ZINC000091884714 180280089 /nfs/dbraw/zinc/28/00/89/180280089.db2.gz XLXYBCQIQDZWSG-UONOGXRCSA-N 0 0 263.362 2.344 10 30 CEEERN N#CC1([C@@H](O)[C@H]2CCCOC2)Cc2ccccc2C1 ZINC000091884359 180280175 /nfs/dbraw/zinc/28/01/75/180280175.db2.gz XZKDRWFPPFYHKX-GJZGRUSLSA-N 0 0 257.333 2.083 10 30 CEEERN C[C@@H]1C[C@@](O)(C2(C#N)Cc3ccccc3C2)CCO1 ZINC000091885184 180280197 /nfs/dbraw/zinc/28/01/97/180280197.db2.gz KHEZDTORAWWLON-MLGOLLRUSA-N 0 0 257.333 2.225 10 30 CEEERN N#C[C@@]1([C@]2(O)CCCOCC2)COc2ccccc2C1 ZINC000091903195 180282893 /nfs/dbraw/zinc/28/28/93/180282893.db2.gz DCOREBNIJWJMOW-CVEARBPZSA-N 0 0 273.332 2.063 10 30 CEEERN COC(C[C@@](C)(O)[C@]1(C#N)CCc2ccccc2C1)OC ZINC000091904173 180282916 /nfs/dbraw/zinc/28/29/16/180282916.db2.gz RLJNVCUJOJFNCB-IAGOWNOFSA-N 0 0 289.375 2.445 10 30 CEEERN N#C[C@@]1([C@]2(O)CCCOCC2)CCc2ccccc21 ZINC000091903182 180283099 /nfs/dbraw/zinc/28/30/99/180283099.db2.gz PBSQFVMHRXUNRF-HOTGVXAUSA-N 0 0 257.333 2.326 10 30 CEEERN COC(C[C@](C)(O)[C@@]1(C#N)CCc2ccccc21)OC ZINC000091904194 180283182 /nfs/dbraw/zinc/28/31/82/180283182.db2.gz QZBOLOHBHVSLTD-JKSUJKDBSA-N 0 0 275.348 2.154 10 30 CEEERN C=CC[NH2+]CC(=O)N(C)Cc1ccc(Br)cc1 ZINC000105676556 186068083 /nfs/dbraw/zinc/06/80/83/186068083.db2.gz PYVDODIMDLUCHK-UHFFFAOYSA-N 0 0 297.196 2.183 10 30 CEEERN C[C@H]1CN(C(=O)c2cc(F)ccc2C#CCCO)C[C@H]1C ZINC000092112094 180326925 /nfs/dbraw/zinc/32/69/25/180326925.db2.gz VLVYAWQZYAONCQ-BETUJISGSA-N 0 0 289.350 2.288 10 30 CEEERN Cc1nnsc1C(=O)Nc1ccc(OCC#N)cc1 ZINC000105789101 186072070 /nfs/dbraw/zinc/07/20/70/186072070.db2.gz WKYKOVQJPVEQBS-UHFFFAOYSA-N 0 0 274.305 2.001 10 30 CEEERN N#Cc1ccc(NC(=O)CCCCO)cc1Cl ZINC000092173853 180336984 /nfs/dbraw/zinc/33/69/84/180336984.db2.gz PABXNRAZQPMYDD-UHFFFAOYSA-N 0 0 252.701 2.313 10 30 CEEERN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(F)c2cccnc12 ZINC000092465363 180391053 /nfs/dbraw/zinc/39/10/53/180391053.db2.gz WFIBCZJUZWQVBN-UHFFFAOYSA-N 0 0 274.295 2.447 10 30 CEEERN CC(C)N(CCC#N)c1cc(C(=O)N(C)C)ccc1N ZINC000109537375 186260512 /nfs/dbraw/zinc/26/05/12/186260512.db2.gz KAFSRTYUYQLYPN-UHFFFAOYSA-N 0 0 274.368 2.099 10 30 CEEERN CCC[C@H](C#N)N1CCN(C(=O)c2occc2C)CC1 ZINC000109446795 186253175 /nfs/dbraw/zinc/25/31/75/186253175.db2.gz HFBZVCAEMSYGDY-CYBMUJFWSA-N 0 0 275.352 2.038 10 30 CEEERN C[C@H](Sc1cnccn1)C(=O)Nc1ccc(C#N)cc1 ZINC000110913233 186332100 /nfs/dbraw/zinc/33/21/00/186332100.db2.gz XZPSAUKYCROPGA-JTQLQIEISA-N 0 0 284.344 2.468 10 30 CEEERN CCC[C@@H](C)NC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110949919 186335367 /nfs/dbraw/zinc/33/53/67/186335367.db2.gz HSIBTNTTXBKSHR-GFCCVEGCSA-N 0 0 284.363 2.407 10 30 CEEERN CC[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CCN1C ZINC000110748906 186322250 /nfs/dbraw/zinc/32/22/50/186322250.db2.gz VQFMGDCVHDYXJD-CYBMUJFWSA-N 0 0 263.385 2.013 10 30 CEEERN N#C[C@H](NC[C@@H]1CCCO1)c1cccc(F)c1F ZINC000111040206 186347155 /nfs/dbraw/zinc/34/71/55/186347155.db2.gz GKPHPIKTAHJFDL-CABZTGNLSA-N 0 0 252.264 2.298 10 30 CEEERN CCCOCCOC[C@@](C#N)(NC)c1ccccc1 ZINC000111110189 186353766 /nfs/dbraw/zinc/35/37/66/186353766.db2.gz VIVYGZVCHPDIDV-OAHLLOKOSA-N 0 0 262.353 2.068 10 30 CEEERN CN(C)c1nnc(S[C@@H]2CCC[C@@H]2C#N)s1 ZINC000111315832 186396105 /nfs/dbraw/zinc/39/61/05/186396105.db2.gz SGDITPBGNPJCSS-HTQZYQBOSA-N 0 0 254.384 2.388 10 30 CEEERN Cc1cnc(NC(=O)c2sccc2C#CCCO)s1 ZINC000111531375 186426275 /nfs/dbraw/zinc/42/62/75/186426275.db2.gz IBBOZLSHBZJDNZ-UHFFFAOYSA-N 0 0 292.385 2.499 10 30 CEEERN CN(CC1CCC1)C(=O)c1sccc1C#CCCO ZINC000111536043 186426818 /nfs/dbraw/zinc/42/68/18/186426818.db2.gz FLAWPFQADNAWLY-UHFFFAOYSA-N 0 0 277.389 2.354 10 30 CEEERN Cc1ccc(NS(=O)(=O)CCC(C)C)c(C#CCO)c1 ZINC000111658184 186438603 /nfs/dbraw/zinc/43/86/03/186438603.db2.gz IJXFMIJSQCSXKB-UHFFFAOYSA-N 0 0 295.404 2.127 10 30 CEEERN C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccc(C#CCCO)cc1F ZINC000111776815 186456420 /nfs/dbraw/zinc/45/64/20/186456420.db2.gz TYELIZBOTVSVAL-TZMCWYRMSA-N 0 0 289.350 2.288 10 30 CEEERN CC(C)[C@@H](O)CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000158903053 188398814 /nfs/dbraw/zinc/39/88/14/188398814.db2.gz VWOJCTLVBNUEJB-LBPRGKRZSA-N 0 0 250.273 2.043 10 30 CEEERN CC(C)[C@H](O)CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000158902917 188398896 /nfs/dbraw/zinc/39/88/96/188398896.db2.gz VWOJCTLVBNUEJB-GFCCVEGCSA-N 0 0 250.273 2.043 10 30 CEEERN C#CCOC(=O)c1ccc(-c2cc(N)ccc2OC)o1 ZINC000073640403 363237629 /nfs/dbraw/zinc/23/76/29/363237629.db2.gz ZRASHHUZYHOYCL-UHFFFAOYSA-N 0 0 271.272 2.327 10 30 CEEERN N#C[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000125255122 540028279 /nfs/dbraw/zinc/02/82/79/540028279.db2.gz AWHWELWZRGMBNZ-QMMMGPOBSA-N 0 0 252.067 2.054 10 30 CEEERN CC#CCC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218823593 540073852 /nfs/dbraw/zinc/07/38/52/540073852.db2.gz HIXNCTASUIECJX-LLVKDONJSA-N 0 0 251.326 2.226 10 30 CEEERN COC(=O)c1cc(C=O)c(C#N)c(OC(F)(F)F)c1 ZINC000575390994 366267525 /nfs/dbraw/zinc/26/75/25/366267525.db2.gz NMONUJDEORGGMJ-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN COC(=O)c1c(C#N)ccc(C=O)c1OC(F)(F)F ZINC000575390807 366267796 /nfs/dbraw/zinc/26/77/96/366267796.db2.gz BOMGNMHYCWEDAT-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(C=O)c1C(F)(F)F ZINC000575391054 366268292 /nfs/dbraw/zinc/26/82/92/366268292.db2.gz GWALGSDJHRFFFG-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)c1c(O)c(OC(F)(F)F)ccc1C#N ZINC000575391826 366269690 /nfs/dbraw/zinc/26/96/90/366269690.db2.gz QIQRKRUEKLRWOB-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1OC ZINC000575393990 366272456 /nfs/dbraw/zinc/27/24/56/366272456.db2.gz BWBVIQFTBWUNRV-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575395420 366275140 /nfs/dbraw/zinc/27/51/40/366275140.db2.gz CFLJTFDDPQNKFS-UHFFFAOYSA-N 0 0 274.154 2.272 10 30 CEEERN COC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575395428 366275255 /nfs/dbraw/zinc/27/52/55/366275255.db2.gz CJZXNIQTRIHJLS-UHFFFAOYSA-N 0 0 274.154 2.272 10 30 CEEERN COCc1cc(/C=N\O)cc(Br)c1OC ZINC000575602956 366298600 /nfs/dbraw/zinc/29/86/00/366298600.db2.gz XIFIUOIQEHKYOY-XGICHPGQSA-N 0 0 274.114 2.412 10 30 CEEERN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076097827 363520787 /nfs/dbraw/zinc/52/07/87/363520787.db2.gz OINZPSXZLPISPO-FZMZJTMJSA-N 0 0 288.347 2.105 10 30 CEEERN N#CCc1cc(C#N)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575640574 366308417 /nfs/dbraw/zinc/30/84/17/366308417.db2.gz JIFRQJOFVJZOTM-UHFFFAOYSA-N 0 0 253.164 2.134 10 30 CEEERN N#CCc1cc([N+](=O)[O-])cc(OC(F)F)c1C#N ZINC000575642183 366309802 /nfs/dbraw/zinc/30/98/02/366309802.db2.gz ZOWZQQDHCJSCND-UHFFFAOYSA-N 0 0 253.164 2.134 10 30 CEEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135054809 366390546 /nfs/dbraw/zinc/39/05/46/366390546.db2.gz RVTVMLSHPSGJLR-XJKSGUPXSA-N 0 0 288.395 2.164 10 30 CEEERN C#CCCC(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685962182 540663414 /nfs/dbraw/zinc/66/34/14/540663414.db2.gz XLLYTOCQOZUUKY-WDEREUQCSA-N 0 0 251.326 2.130 10 30 CEEERN N#Cc1cnn(-c2cc(F)ccc2Br)c1N ZINC000149335551 366589797 /nfs/dbraw/zinc/58/97/97/366589797.db2.gz JOWVHUXDTLQCBX-UHFFFAOYSA-N 0 0 281.088 2.228 10 30 CEEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000080943864 363689582 /nfs/dbraw/zinc/68/95/82/363689582.db2.gz SFPIBXCOPITBKQ-ZDUSSCGKSA-N 0 0 281.315 2.150 10 30 CEEERN C=CCOCCCC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177147661 189031693 /nfs/dbraw/zinc/03/16/93/189031693.db2.gz QAWNIBWOMHNSJN-HNNXBMFYSA-N 0 0 291.395 2.165 10 30 CEEERN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000179225808 189179111 /nfs/dbraw/zinc/17/91/11/189179111.db2.gz MWQOXCCNDIYNQC-DMGQIGSTSA-N 0 0 284.359 2.239 10 30 CEEERN C[C@@H](Nc1ncccc1C#N)C(=O)N1CCc2ccccc21 ZINC000301178899 200932628 /nfs/dbraw/zinc/93/26/28/200932628.db2.gz MIZLJAXHOLJWQK-GFCCVEGCSA-N 0 0 292.342 2.343 10 30 CEEERN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000183072072 189345362 /nfs/dbraw/zinc/34/53/62/189345362.db2.gz RAEDVBGBBOPDEQ-ZDUSSCGKSA-N 0 0 262.353 2.439 10 30 CEEERN CCCCCCS(=O)(=O)[C@@H](CCCC)CC(=O)NO ZINC000013808895 361441658 /nfs/dbraw/zinc/44/16/58/361441658.db2.gz XAYUUSHBNSHYDL-LBPRGKRZSA-N 0 0 293.429 2.436 10 30 CEEERN CCCC[C@@H](CC(=O)NO)[S@@](=O)c1ccccc1 ZINC000013808928 361442208 /nfs/dbraw/zinc/44/22/08/361442208.db2.gz SQIUCETXNXHTSW-KPZWWZAWSA-N 0 0 269.366 2.249 10 30 in-vivo CEEERN CCOC(=O)[C@]1(C)CCN(c2snc(Cl)c2C#N)C1 ZINC000301738830 201168381 /nfs/dbraw/zinc/16/83/81/201168381.db2.gz CTARUJNKUWXFIE-GFCCVEGCSA-N 0 0 299.783 2.448 10 30 CEEERN N#Cc1cccnc1NCc1ccnc(O[C@H]2CCOC2)c1 ZINC000301902194 201255928 /nfs/dbraw/zinc/25/59/28/201255928.db2.gz WEDRJNWICHFPGY-AWEZNQCLSA-N 0 0 296.330 2.128 10 30 CEEERN CCCCOc1ccc(O[C@@H](C)C(=O)NO)cc1 ZINC000028106392 361667442 /nfs/dbraw/zinc/66/74/42/361667442.db2.gz PBEZWGMLOHXFDA-JTQLQIEISA-N 0 0 253.298 2.138 10 30 in-vivo CEEERN C=CCNC(=O)c1ccn(COc2ccccc2Cl)n1 ZINC000028231432 361668782 /nfs/dbraw/zinc/66/87/82/361668782.db2.gz PSZMYCCCBXIYDG-UHFFFAOYSA-N 0 0 291.738 2.489 10 30 CEEERN COc1cccc(F)c1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000088080484 363876576 /nfs/dbraw/zinc/87/65/76/363876576.db2.gz FZPFUJCHPGTPLK-ONGXEEELSA-N 0 0 262.284 2.256 10 30 CEEERN COC(=O)[C@H]1C(=O)C=C(NCc2ccccc2)C[C@H]1C ZINC000100106371 364540159 /nfs/dbraw/zinc/54/01/59/364540159.db2.gz FYBZDTRKICUAPJ-IAQYHMDHSA-N 0 0 273.332 2.058 10 30 CEEERN COC[C@@H](C)C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000103380937 364646233 /nfs/dbraw/zinc/64/62/33/364646233.db2.gz FMFMZRLENFUEFM-SSDOTTSWSA-N 0 0 285.394 2.288 10 30 CEEERN Cn1cc([C@@H]2CCN(C(=O)Nc3cccc(C#N)c3)C2)cn1 ZINC000116410063 365054728 /nfs/dbraw/zinc/05/47/28/365054728.db2.gz BVNYBFXVFAFXFH-CYBMUJFWSA-N 0 0 295.346 2.313 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2ccco2)on1 ZINC000335853883 365072612 /nfs/dbraw/zinc/07/26/12/365072612.db2.gz POTGQPULQLUFJB-UWVGGRQHSA-N 0 0 271.276 2.357 10 30 CEEERN N#CCSCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116046070 365033862 /nfs/dbraw/zinc/03/38/62/365033862.db2.gz ZOEDUHRIIBDYQT-SNVBAGLBSA-N 0 0 250.323 2.200 10 30 CEEERN N#Cc1nc(Nc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000302708982 201520848 /nfs/dbraw/zinc/52/08/48/201520848.db2.gz HPKNNQAGMOTTLH-UHFFFAOYSA-N 0 0 298.258 2.376 10 30 CEEERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)no1 ZINC000176014662 368196211 /nfs/dbraw/zinc/19/62/11/368196211.db2.gz JECGGEBOQWKKMQ-GFCCVEGCSA-N 0 0 299.334 2.370 10 30 CEEERN C[C@H](OCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000347746590 368818237 /nfs/dbraw/zinc/81/82/37/368818237.db2.gz XINCEFHLELBXAE-CFVMTHIKSA-N 0 0 272.348 2.400 10 30 CEEERN C#C[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000185991712 368900207 /nfs/dbraw/zinc/90/02/07/368900207.db2.gz MMDQHNNSRREIMR-RKDXNWHRSA-N 0 0 252.264 2.347 10 30 CEEERN C=C[C@](C)(CC)C(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191754352 369740195 /nfs/dbraw/zinc/74/01/95/369740195.db2.gz RBJSBGBQQYFAPQ-GDBMZVCRSA-N 0 0 291.395 2.405 10 30 CEEERN COCCOc1ccc(C#N)cc1N[C@@H]1CCOC[C@H]1C ZINC000195115980 370106290 /nfs/dbraw/zinc/10/62/90/370106290.db2.gz YKACICXBSMDXOE-TZMCWYRMSA-N 0 0 290.363 2.420 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(O)ccc1Cl ZINC000236556803 370592580 /nfs/dbraw/zinc/59/25/80/370592580.db2.gz GGJGNLJWFAFDKS-PELKAZGASA-N 0 0 264.712 2.468 10 30 CEEERN C[C@H](C#N)[C@H](O)c1cccc(I)c1 ZINC000306724595 376553053 /nfs/dbraw/zinc/55/30/53/376553053.db2.gz JAJXDCMQGBYLSN-XCBNKYQSSA-N 0 0 287.100 2.484 10 30 CEEERN O=C(C#CBr)Nc1ncnc(Cl)c1Cl ZINC000307524537 376566762 /nfs/dbraw/zinc/56/67/62/376566762.db2.gz CZLHREKWYQOFNO-UHFFFAOYSA-N 0 0 294.923 2.078 10 30 CEEERN N#Cc1nccnc1N1CCC(Nc2ccccc2)CC1 ZINC000301183247 379212390 /nfs/dbraw/zinc/21/23/90/379212390.db2.gz NWSIIOVPRARLBI-UHFFFAOYSA-N 0 0 279.347 2.429 10 30 CEEERN C=CCO[C@@H]1CCN(c2nnc(C(C)C)s2)C1 ZINC000302198617 379328675 /nfs/dbraw/zinc/32/86/75/379328675.db2.gz YKGAMPPVAZUNTG-SNVBAGLBSA-N 0 0 253.371 2.443 10 30 CEEERN C#CCn1cc(CN(C)c2nc(C(C)(C)C)ns2)cn1 ZINC000302505445 379384614 /nfs/dbraw/zinc/38/46/14/379384614.db2.gz MPXGZRBYZYPYSX-UHFFFAOYSA-N 0 0 289.408 2.302 10 30 CEEERN Cc1ccc(N2CCC(Cn3cccn3)CC2)nc1C#N ZINC000302624699 379409843 /nfs/dbraw/zinc/40/98/43/379409843.db2.gz HTOLRCGHMFYRQY-UHFFFAOYSA-N 0 0 281.363 2.375 10 30 CEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000182905360 542285524 /nfs/dbraw/zinc/28/55/24/542285524.db2.gz RMNMVPWQRVAQIM-HBNTYKKESA-N 0 0 294.317 2.344 10 30 CEEERN CCOc1cc2c(cc1CNCCC#N)O[C@H](C)C2 ZINC000020199322 171063210 /nfs/dbraw/zinc/06/32/10/171063210.db2.gz XPPIQISNXKJNAM-LLVKDONJSA-N 0 0 260.337 2.412 10 30 CEEERN O=C(N[C@H]1CCC(=O)NC1)[C@H]1CCC(=O)c2cccn21 ZINC000329838157 296327681 /nfs/dbraw/zinc/32/76/81/296327681.db2.gz IPNZNTQWSQGQEF-GXSJLCMTSA-N 0 0 275.308 2.081 10 30 CEEERN COc1ccc([C@H](C#N)c2cnccn2)cc1OC ZINC000005361237 184532494 /nfs/dbraw/zinc/53/24/94/184532494.db2.gz FKTQGZWLAIGPAR-NSHDSACASA-N 0 0 255.277 2.149 10 30 CEEERN N#Cc1c[nH]nc1NC(=O)c1ccccc1Br ZINC000093334780 184665812 /nfs/dbraw/zinc/66/58/12/184665812.db2.gz KNOAGACTJCKALZ-UHFFFAOYSA-N 0 0 291.108 2.296 10 30 CEEERN Cn1ncc(C#N)c1NC(=O)CCCc1ccccc1 ZINC000093334929 184665883 /nfs/dbraw/zinc/66/58/83/184665883.db2.gz KRCKTYYWVJEMGD-UHFFFAOYSA-N 0 0 268.320 2.253 10 30 CEEERN CN[C@]1(C#N)CC[C@@H](Oc2cccc(C)c2[N+](=O)[O-])C1 ZINC000093805269 184723940 /nfs/dbraw/zinc/72/39/40/184723940.db2.gz QCLIPLISLMBZRW-BXUZGUMPSA-N 0 0 275.308 2.316 10 30 CEEERN COc1ccccc1[C@H](C#N)C(=O)[C@@H]1CCO[C@@H]1C ZINC000094178082 184759914 /nfs/dbraw/zinc/75/99/14/184759914.db2.gz WYEYBYBPNSHBSI-WZRBSPASSA-N 0 0 259.305 2.296 10 30 CEEERN C#CCN1C(=O)N=C(N)[C@@]12CCC(C)(C)c1ccccc12 ZINC000094516649 184813232 /nfs/dbraw/zinc/81/32/32/184813232.db2.gz XIRQCWWFMAPXCV-KRWDZBQOSA-N 0 0 281.359 2.379 10 30 CEEERN COC[C@@H](C)CC(=O)Nc1ccc(C#CCCO)cc1C ZINC000095037299 184920681 /nfs/dbraw/zinc/92/06/81/184920681.db2.gz GUQGWWLDVRXZMG-ZDUSSCGKSA-N 0 0 289.375 2.340 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)N1c2ccccc2CC[C@@H]1C ZINC000088474769 135054851 /nfs/dbraw/zinc/05/48/51/135054851.db2.gz CMFJVENULPVZBA-AAEUAGOBSA-N 0 0 278.377 2.460 10 30 CEEERN C[C@H](O)c1ccc(N2CCO[C@@H](C#N)C2)c(Cl)c1 ZINC000093933109 135082681 /nfs/dbraw/zinc/08/26/81/135082681.db2.gz 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CEEERN CCOc1ccccc1Oc1cc(/C(N)=N/O)ccn1 ZINC000019512024 170820601 /nfs/dbraw/zinc/82/06/01/170820601.db2.gz XRRKVDDIQODYMQ-UHFFFAOYSA-N 0 0 273.292 2.367 10 30 CEEERN C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000020297994 171138000 /nfs/dbraw/zinc/13/80/00/171138000.db2.gz SKVUUHMGRUJELF-LBPRGKRZSA-N 0 0 258.321 2.338 10 30 CEEERN C[C@@H](Oc1ccc(CC#N)cc1)C(=O)NC(C)(C)C ZINC000020311112 171144507 /nfs/dbraw/zinc/14/45/07/171144507.db2.gz AZKNSPVETBZGGM-LLVKDONJSA-N 0 0 260.337 2.435 10 30 CEEERN CCOc1cc([C@H](C#N)NC)ccc1OC(F)F ZINC000020378379 171171767 /nfs/dbraw/zinc/17/17/67/171171767.db2.gz XJAHUVGBJYTWOD-VIFPVBQESA-N 0 0 256.252 2.471 10 30 CEEERN CN(Cc1ccco1)S(=O)(=O)Cc1ccccc1C#N ZINC000035124544 171995517 /nfs/dbraw/zinc/99/55/17/171995517.db2.gz VQOMNCGXEIRMPK-UHFFFAOYSA-N 0 0 290.344 2.113 10 30 CEEERN COCCS[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000035321967 172125125 /nfs/dbraw/zinc/12/51/25/172125125.db2.gz ALIVTKQURXHAPN-JTQLQIEISA-N 0 0 264.350 2.265 10 30 CEEERN 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/nfs/dbraw/zinc/20/53/14/344205314.db2.gz CNPWSDJIWYRXRG-UHFFFAOYSA-N 0 0 257.253 2.252 10 30 CEEERN COC(=O)c1ccnc(-c2ccc(O)c(C#N)c2)c1 ZINC000115877156 344284446 /nfs/dbraw/zinc/28/44/46/344284446.db2.gz RPCGPDNUCOAUSV-UHFFFAOYSA-N 0 0 254.245 2.112 10 30 CEEERN CC1CC(C#N)(C(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000125745557 344320434 /nfs/dbraw/zinc/32/04/34/344320434.db2.gz RMPBLWBVVSGIMH-ICRTXTNUSA-N 0 0 262.353 2.096 10 30 CEEERN CC(C)(C#N)[C@@H](O)c1ccc(Br)cn1 ZINC000130181062 344351233 /nfs/dbraw/zinc/35/12/33/344351233.db2.gz AGXHVMIVTBEFPR-VIFPVBQESA-N 0 0 255.115 2.427 10 30 CEEERN COc1cc(/C=C/C(=O)NO)ccc1OCc1ccco1 ZINC000142199185 344402322 /nfs/dbraw/zinc/40/23/22/344402322.db2.gz ILLXHILXWPZHNA-FNORWQNLSA-N 0 0 289.287 2.386 10 30 CEEERN CC(=N\OC(C)C)/C(=N/OC(C)C)n1ccnc1 ZINC000148872214 344414564 /nfs/dbraw/zinc/41/45/64/344414564.db2.gz DLLSLPZSQOBLES-ADBGAXBCSA-N 0 0 252.318 2.271 10 30 CEEERN C=C(Br)CNC(=O)c1ccc(O)cc1 ZINC000163669760 344470953 /nfs/dbraw/zinc/47/09/53/344470953.db2.gz UDYCQVQDIFRRSL-UHFFFAOYSA-N 0 0 256.099 2.031 10 30 CEEERN C=C[C@H](C)n1cnc(Cl)c(Br)c1=O ZINC000166312921 344475860 /nfs/dbraw/zinc/47/58/60/344475860.db2.gz IVQJFPXLXJKLTP-YFKPBYRVSA-N 0 0 263.522 2.406 10 30 CEEERN C#CCC(=O)c1ccccc1I ZINC000167707153 344479165 /nfs/dbraw/zinc/47/91/65/344479165.db2.gz XPRHXNRJKFXKNF-UHFFFAOYSA-N 0 0 270.069 2.497 10 30 CEEERN N#Cc1cc2c(nc1I)CCC2 ZINC000167716662 344479270 /nfs/dbraw/zinc/47/92/70/344479270.db2.gz OKZXRZIHNCFXEN-UHFFFAOYSA-N 0 0 270.073 2.047 10 30 CEEERN N#C[C@@]1(NCc2ccccc2)CCN2CCCC[C@@H]21 ZINC000169111838 344481606 /nfs/dbraw/zinc/48/16/06/344481606.db2.gz WCHCDBHALKYWHZ-CVEARBPZSA-N 0 0 255.365 2.297 10 30 CEEERN O=C(/C=C/c1ccc(Br)cc1)[C@@H]1CO1 ZINC000215450712 344534310 /nfs/dbraw/zinc/53/43/10/344534310.db2.gz BRSBFMFRWRDHDL-GQOHGMTASA-N 0 0 253.095 2.430 10 30 CEEERN C=C(C)[C@@H](NN)c1cc(Br)ccc1N ZINC000229785123 344568817 /nfs/dbraw/zinc/56/88/17/344568817.db2.gz POBLZLDOMTYENG-SNVBAGLBSA-N 0 0 256.147 2.112 10 30 CEEERN C[C@H](N[C@H]1CCCC[C@H]1C#N)C(=O)N1CCCCC1 ZINC000252801018 344641706 /nfs/dbraw/zinc/64/17/06/344641706.db2.gz ZIHXULZCWJRLAO-IHRRRGAJSA-N 0 0 263.385 2.059 10 30 CEEERN C=C[C@@H](C)Nc1ncc(I)n1C ZINC000306984772 344719381 /nfs/dbraw/zinc/71/93/81/344719381.db2.gz MLUNHYVXGVUBCO-ZCFIWIBFSA-N 0 0 277.109 2.011 10 30 CEEERN Cc1cc(NC(=O)C#CBr)cnc1Cl ZINC000306563900 344714706 /nfs/dbraw/zinc/71/47/06/344714706.db2.gz PSBHNGDTDSEXDP-UHFFFAOYSA-N 0 0 273.517 2.338 10 30 CEEERN O=C(C#CBr)NCc1ccc(Cl)cc1 ZINC000306585851 344715186 /nfs/dbraw/zinc/71/51/86/344715186.db2.gz IHLYUQRZVJEBLM-UHFFFAOYSA-N 0 0 272.529 2.312 10 30 CEEERN C[C@@H](NC(=O)C#CBr)c1cccc(F)c1 ZINC000306610545 344715610 /nfs/dbraw/zinc/71/56/10/344715610.db2.gz AODVFBIUSCQCBS-MRVPVSSYSA-N 0 0 270.101 2.359 10 30 CEEERN C=CCS(=O)(=O)Nc1cc(C)cnc1Br ZINC000306610701 344715660 /nfs/dbraw/zinc/71/56/60/344715660.db2.gz ATZGGKNHZGPEGY-UHFFFAOYSA-N 0 0 291.170 2.080 10 30 CEEERN C[C@H](NC(=O)C#CBr)c1ccccc1F ZINC000306669532 344716248 /nfs/dbraw/zinc/71/62/48/344716248.db2.gz LGODCVFGBMSQLO-QMMMGPOBSA-N 0 0 270.101 2.359 10 30 CEEERN CCS[C@@H]1CC[C@@H](NC(=O)C#CBr)C1 ZINC000306699059 344716645 /nfs/dbraw/zinc/71/66/45/344716645.db2.gz DYSBHXHGAOTTIU-RKDXNWHRSA-N 0 0 276.199 2.133 10 30 CEEERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cccc(C#N)c1 ZINC000328616812 344755862 /nfs/dbraw/zinc/75/58/62/344755862.db2.gz CBZHIANAHPQXSS-CQSZACIVSA-N 0 0 294.358 2.089 10 30 CEEERN CN(C[C@H]1CCn2ccnc2C1)C(=O)Nc1cccnc1 ZINC000328631086 344756335 /nfs/dbraw/zinc/75/63/35/344756335.db2.gz QOHQTERSVRVTDP-LBPRGKRZSA-N 0 0 285.351 2.018 10 30 CEEERN CCc1nnc(CN[C@H]2CCCC[C@@H]2C#N)s1 ZINC000391955192 344839158 /nfs/dbraw/zinc/83/91/58/344839158.db2.gz KDVDLKYIIGIIJL-ZJUUUORDSA-N 0 0 250.371 2.272 10 30 CEEERN C=C[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000083813630 178749488 /nfs/dbraw/zinc/74/94/88/178749488.db2.gz QNAKXZQHZOYYCO-VIFPVBQESA-N 0 0 271.110 2.440 10 30 CEEERN CCOC(=O)COc1ccc(C=C(C(C)=O)C(C)=O)cc1 ZINC000584591514 344960775 /nfs/dbraw/zinc/96/07/75/344960775.db2.gz RCNIFLWYASQWJO-UHFFFAOYSA-N 0 0 290.315 2.190 10 30 CEEERN COc1ccc([C@@]2(C#N)CC[C@@H](O)CC2)cc1OC ZINC000584600293 344962584 /nfs/dbraw/zinc/96/25/84/344962584.db2.gz DKCJHUGCAQYREQ-JNSHFYNHSA-N 0 0 261.321 2.400 10 30 CEEERN NC(=[NH2+])NN=Cc1ccc(CCc2ccccc2)cc1 ZINC000584605494 344963587 /nfs/dbraw/zinc/96/35/87/344963587.db2.gz QNGIZDIOSOAPTN-XDHOZWIPSA-N 0 0 266.348 2.289 10 30 CEEERN N#Cc1ccc(-c2cncc3ncc(C(N)=O)cc32)cc1 ZINC000584615960 344965857 /nfs/dbraw/zinc/96/58/57/344965857.db2.gz HEFDDNLTIAFWCG-UHFFFAOYSA-N 0 0 274.283 2.267 10 30 CEEERN COC1=CC(=O)C(Oc2ccc(Cl)cc2C=O)=CC1=O ZINC000584652946 344973411 /nfs/dbraw/zinc/97/34/11/344973411.db2.gz XCBABODPNULLJV-UHFFFAOYSA-N 0 0 292.674 2.097 10 30 CEEERN CC(C)[S@](=O)CCCC(=O)Nc1ccccc1C#N ZINC000084266358 178834748 /nfs/dbraw/zinc/83/47/48/178834748.db2.gz TXYCXZPCHWNGKW-IBGZPJMESA-N 0 0 278.377 2.434 10 30 CEEERN CCC[S@@](=O)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000084262243 178833940 /nfs/dbraw/zinc/83/39/40/178833940.db2.gz FXNFTROSTYWEHO-MGNBDDOMSA-N 0 0 264.350 2.044 10 30 CEEERN CC(C)[S@@](=O)CCCC(=O)Nc1ccccc1C#N ZINC000084266354 178834490 /nfs/dbraw/zinc/83/44/90/178834490.db2.gz TXYCXZPCHWNGKW-LJQANCHMSA-N 0 0 278.377 2.434 10 30 CEEERN N#Cc1cnc(Oc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000071179339 232180129 /nfs/dbraw/zinc/18/01/29/232180129.db2.gz MICQMQVKJDOYJJ-UHFFFAOYSA-N 0 0 260.184 2.188 10 30 CEEERN CN1C[C@H](CNc2cccc(Cl)c2C#N)CC1=O ZINC000596493017 346038402 /nfs/dbraw/zinc/03/84/02/346038402.db2.gz YBURHJBCYOQSMB-VIFPVBQESA-N 0 0 263.728 2.102 10 30 CEEERN COCc1csc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000597339750 346173419 /nfs/dbraw/zinc/17/34/19/346173419.db2.gz NITGTMBVRABBPA-MNOVXSKESA-N 0 0 264.350 2.317 10 30 CEEERN COc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1C ZINC000597340059 346173986 /nfs/dbraw/zinc/17/39/86/346173986.db2.gz OYORHOGAEGNISX-DGCLKSJQSA-N 0 0 258.321 2.426 10 30 CEEERN CO[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000061888448 362695313 /nfs/dbraw/zinc/69/53/13/362695313.db2.gz VPYIQJKPXVZDSH-MGPQQGTHSA-N 0 0 258.321 2.183 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000061888751 362695343 /nfs/dbraw/zinc/69/53/43/362695343.db2.gz TZIVATKCQXNDJW-IUODEOHRSA-N 0 0 280.331 2.294 10 30 CEEERN CC(=O)Nc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891120 362697424 /nfs/dbraw/zinc/69/74/24/362697424.db2.gz YLGUIYULEAKQNC-DZGCQCFKSA-N 0 0 257.337 2.427 10 30 CEEERN C=CCN1C(=O)[C@H](C(C)C)NC(=O)[C@@]1(C)c1ccccc1 ZINC000085717919 179129509 /nfs/dbraw/zinc/12/95/09/179129509.db2.gz ZYNKETILSDPOGC-WMLDXEAASA-N 0 0 286.375 2.071 10 30 CEEERN CC(=O)[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000111690940 136563533 /nfs/dbraw/zinc/56/35/33/136563533.db2.gz JWJRUPHBPWEIBR-LBPRGKRZSA-N 0 0 273.292 2.272 10 30 CEEERN C=CCN1C(=O)[C@H](C2CCCCC2)NC(=O)[C@@H]1C(C)(C)C ZINC000085776177 179159255 /nfs/dbraw/zinc/15/92/55/179159255.db2.gz VYIZOYBALLGYSY-UONOGXRCSA-N 0 0 292.423 2.494 10 30 CEEERN C[C@@H](CC#N)NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000064346387 362785628 /nfs/dbraw/zinc/78/56/28/362785628.db2.gz ASTZSLVRSULVIZ-RYUDHWBXSA-N 0 0 295.383 2.052 10 30 CEEERN Cc1ccc(NC(=O)c2ccncc2F)cc1C#CCO ZINC000086316923 179269670 /nfs/dbraw/zinc/26/96/70/179269670.db2.gz KOSYGKFGDJGQKB-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCOc1cccc(F)c1 ZINC000610498338 347686577 /nfs/dbraw/zinc/68/65/77/347686577.db2.gz VKRVPMQMUOUJQD-SMDDNHRTSA-N 0 0 276.311 2.403 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@@]1(C#N)NC1CCCCCC1 ZINC000086677690 179319415 /nfs/dbraw/zinc/31/94/15/179319415.db2.gz VVFYOSZJGINHLF-KBPBESRZSA-N 0 0 284.425 2.158 10 30 CEEERN CC1CCC(O)(CNc2ccc(N)cc2C#N)CC1 ZINC000087046327 179388223 /nfs/dbraw/zinc/38/82/23/179388223.db2.gz KGTWGVDFLCMWQL-UHFFFAOYSA-N 0 0 259.353 2.494 10 30 CEEERN CC(C)N(CCC#N)c1nc(Cl)nnc1Cl ZINC000087967694 179529763 /nfs/dbraw/zinc/52/97/63/179529763.db2.gz RPKFVDOPCHWXKX-UHFFFAOYSA-N 0 0 260.128 2.307 10 30 CEEERN CS(=O)(=O)OC1CC(SC2CCCC2)C1 ZINC000616574493 348524819 /nfs/dbraw/zinc/52/48/19/348524819.db2.gz QYQWLFHHIOUIBG-UHFFFAOYSA-N 0 0 250.385 2.169 10 30 CEEERN CN(CCC#N)C(=O)c1sc2ccccc2c1N ZINC000088638066 179645326 /nfs/dbraw/zinc/64/53/26/179645326.db2.gz VWMHXYLIWFNSEC-UHFFFAOYSA-N 0 0 259.334 2.469 10 30 CEEERN C#Cc1cccc(NS(=O)(=O)CCC(C)C)c1 ZINC000104441013 186003396 /nfs/dbraw/zinc/00/33/96/186003396.db2.gz IKAHVLSLAWVODQ-UHFFFAOYSA-N 0 0 251.351 2.456 10 30 CEEERN Cc1ncsc1CN(C)Cc1cc(C#CCO)cs1 ZINC000104433298 186000641 /nfs/dbraw/zinc/00/06/41/186000641.db2.gz VLGOMNPUPDEMOC-UHFFFAOYSA-N 0 0 292.429 2.489 10 30 CEEERN O=C(NCC#CCOc1ccccc1F)c1ccccn1 ZINC000090727439 180033153 /nfs/dbraw/zinc/03/31/53/180033153.db2.gz PKRYUOORWMWXHX-UHFFFAOYSA-N 0 0 284.290 2.033 10 30 CEEERN Cc1ccc(C(=O)NCC#CCOc2cccnc2)cc1 ZINC000090734021 180033633 /nfs/dbraw/zinc/03/36/33/180033633.db2.gz AJLYUHWSTOZQLT-UHFFFAOYSA-N 0 0 280.327 2.202 10 30 CEEERN CC(=O)Nc1ccsc1CN[C@@H]1CCC[C@H]1C#N ZINC000090960660 180076027 /nfs/dbraw/zinc/07/60/27/180076027.db2.gz IGZMWAAWESMDHY-WDEREUQCSA-N 0 0 263.366 2.488 10 30 CEEERN CC(=O)[C@](C#N)(Cc1cnn(C)c1)c1ccccc1 ZINC000091327474 180135603 /nfs/dbraw/zinc/13/56/03/180135603.db2.gz LHJJVMLNWAIDSR-OAHLLOKOSA-N 0 0 253.305 2.013 10 30 CEEERN COc1ccc(S(=O)(=O)[C@]2(C#N)CC[C@@H]2C)cc1 ZINC000091328151 180135667 /nfs/dbraw/zinc/13/56/67/180135667.db2.gz IJVBSMFKJFSCJP-GWCFXTLKSA-N 0 0 265.334 2.161 10 30 CEEERN C[C@@H](CCO)S[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000091263205 180116374 /nfs/dbraw/zinc/11/63/74/180116374.db2.gz VTGQJCZPDMJOCU-QWRGUYRKSA-N 0 0 278.377 2.389 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)nc1 ZINC000091448535 180157587 /nfs/dbraw/zinc/15/75/87/180157587.db2.gz RTSRBQXXQUKDSE-WCBMZHEXSA-N 0 0 294.152 2.266 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2ccncc2C#CCCO)[C@H]1C ZINC000091459134 180160733 /nfs/dbraw/zinc/16/07/33/180160733.db2.gz MBPYWWVVEWQAQT-KGLIPLIRSA-N 0 0 286.375 2.076 10 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184891179 /nfs/dbraw/zinc/89/11/79/184891179.db2.gz MWVOQMVOIGBFJZ-UHFFFAOYSA-N 0 0 264.350 2.006 10 30 CEEERN C#CCOC(=O)c1cc(N)ccc1N1CCC(C)CC1 ZINC000226278757 130822440 /nfs/dbraw/zinc/82/24/40/130822440.db2.gz OZDQGBWKFZGHKB-UHFFFAOYSA-N 0 0 272.348 2.295 10 30 CEEERN C[C@H]1C[C@H](O)CN(c2c(F)cc(C#N)cc2F)C1 ZINC000335240943 134494676 /nfs/dbraw/zinc/49/46/76/134494676.db2.gz YMFWHUKJPHGVEU-WPRPVWTQSA-N 0 0 252.264 2.044 10 30 CEEERN CC1(C)NC(=O)N(c2ccc(C#N)cc2)C(=O)C1(C)C ZINC000087621850 135050796 /nfs/dbraw/zinc/05/07/96/135050796.db2.gz QRYWFYIKAZGPJR-UHFFFAOYSA-N 0 0 271.320 2.419 10 30 CEEERN C=C(C(=O)OC)[C@@H](O)c1cc([N+](=O)[O-])ccc1Cl ZINC000019835559 394471197 /nfs/dbraw/zinc/47/11/97/394471197.db2.gz JWNAXKGPQQGAOX-SNVBAGLBSA-N 0 0 271.656 2.011 10 30 CEEERN Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889770 394569191 /nfs/dbraw/zinc/56/91/91/394569191.db2.gz HEDBMAHCEQXYKC-JQWIXIFHSA-N 0 0 282.340 2.105 10 30 CEEERN C=C(C)C[C@H](O)c1cnn(C)c1I ZINC000306769191 394517717 /nfs/dbraw/zinc/51/77/17/394517717.db2.gz ACWSYBUIAHPZSN-QMMMGPOBSA-N 0 0 292.120 2.024 10 30 CEEERN COC(=O)c1c(C)c(C#N)ccc1Br ZINC000306818171 394518752 /nfs/dbraw/zinc/51/87/52/394518752.db2.gz FEDYVAIZYHBQPS-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN CN[C@H](C#N)c1ccc(OC)cc1Br ZINC000307075580 394520226 /nfs/dbraw/zinc/52/02/26/394520226.db2.gz CIQRDFQSOKPKIV-SNVBAGLBSA-N 0 0 255.115 2.242 10 30 CEEERN C#CCN[C@@H](C#N)c1cc(Br)cs1 ZINC000051963185 394556998 /nfs/dbraw/zinc/55/69/98/394556998.db2.gz JUJCLGJILPNOIX-QMMMGPOBSA-N 0 0 255.140 2.298 10 30 CEEERN C=CC[C@@H]1C(=O)NCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000091353281 394656692 /nfs/dbraw/zinc/65/66/92/394656692.db2.gz IMLXYPHSHFACFN-GFCCVEGCSA-N 0 0 294.395 2.326 10 30 CEEERN CCOC(=O)ON1[C@H](C)C(=O)C[C@@H]1c1ccccc1 ZINC000098181419 394702360 /nfs/dbraw/zinc/70/23/60/394702360.db2.gz GBOSGPLQXZFOQU-ZYHUDNBSSA-N 0 0 263.293 2.479 10 30 CEEERN COC(=O)Cc1cc(OC)c(C#N)c(C(F)F)c1 ZINC000575343506 395660159 /nfs/dbraw/zinc/66/01/59/395660159.db2.gz AQQXUSLHSKUIAJ-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN COC(=O)Cc1cc([N+](=O)[O-])cc(C(F)F)c1C#N ZINC000575343762 395660398 /nfs/dbraw/zinc/66/03/98/395660398.db2.gz HLPRCRWKXFCVGB-UHFFFAOYSA-N 0 0 270.191 2.120 10 30 CEEERN CCOC(=O)c1c(Br)ccc([N+](=O)[O-])c1C#N ZINC000575383520 395662554 /nfs/dbraw/zinc/66/25/54/395662554.db2.gz NTPJEMLGKCMMBD-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCOC(=O)Cc1cc(Cl)cc([N+](=O)[O-])c1C#N ZINC000575382953 395662575 /nfs/dbraw/zinc/66/25/75/395662575.db2.gz XHAGAKOBJUAIIZ-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1ccc(Br)c(C#N)c1C=O ZINC000575382972 395662618 /nfs/dbraw/zinc/66/26/18/395662618.db2.gz FUTZINHPMKDGGY-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN CCc1cc(C#N)c(OC(F)F)c(CC(=O)OC)c1 ZINC000575385369 395662734 /nfs/dbraw/zinc/66/27/34/395662734.db2.gz NBWSTAVUIDVYCI-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCc1ccc(CC(=O)OC)c(C#N)c1OC(F)F ZINC000575385517 395662754 /nfs/dbraw/zinc/66/27/54/395662754.db2.gz WWQJYJVFXXTCES-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(OC(F)F)c1F ZINC000575385758 395662897 /nfs/dbraw/zinc/66/28/97/395662897.db2.gz IZDCCTXBQMOYQA-UHFFFAOYSA-N 0 0 259.183 2.014 10 30 CEEERN CCOC(=O)c1c(F)cc(C#N)cc1OC(F)F ZINC000575386143 395662975 /nfs/dbraw/zinc/66/29/75/395662975.db2.gz WDNNTCBZHLRPQW-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1cc(CO)cc(C(F)F)c1C#N ZINC000575388134 395663369 /nfs/dbraw/zinc/66/33/69/395663369.db2.gz YKDIBUODHSGEKJ-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575388508 395663592 /nfs/dbraw/zinc/66/35/92/395663592.db2.gz WTUKESRZVGLLAA-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)Cc1c(OC)ccc(C#N)c1OC(F)F ZINC000575388541 395663828 /nfs/dbraw/zinc/66/38/28/395663828.db2.gz MJZSLXBOAXGNAD-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN CCOC(=O)c1cc(C(F)F)cc(C#N)c1C=O ZINC000575389982 395664064 /nfs/dbraw/zinc/66/40/64/395664064.db2.gz YBQQZAXBRKDHHL-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN COCOc1c(Br)cc(F)cc1C#N ZINC000575438591 400609384 /nfs/dbraw/zinc/60/93/84/400609384.db2.gz WIMCXHTYXPCYBI-UHFFFAOYSA-N 0 0 260.062 2.443 10 30 CEEERN N#Cc1nc(SC(=S)N2CCCC2)ccc1[N+](=O)[O-] ZINC000302753167 154187261 /nfs/dbraw/zinc/18/72/61/154187261.db2.gz VWGZMIKPWBHJDO-UHFFFAOYSA-N 0 0 294.361 2.334 10 30 CEEERN Cc1ccc2c(c1C)N(CC#N)C(=O)C21O[C@H](C)[C@@H](C)O1 ZINC000026463721 292371434 /nfs/dbraw/zinc/37/14/34/292371434.db2.gz RFUUPZAVIAWDSB-VXGBXAGGSA-N 0 0 286.331 2.150 10 30 CEEERN CNC(=O)O/N=C(\CSc1cccc[n+]1[O-])C(C)(C)C ZINC000004277511 169952396 /nfs/dbraw/zinc/95/23/96/169952396.db2.gz UWAPSMRXVDDNPD-XNTDXEJSSA-N 0 0 297.380 2.170 10 30 CEEERN C/C=C/C1=CC2=CC(=O)[C@@]3(C)OC(=O)C(C(C)=O)=C3C2=CO1 ZINC000005132790 170069675 /nfs/dbraw/zinc/06/96/75/170069675.db2.gz QBKJTHVGHONHOD-LAQIPUCWSA-N 0 0 298.294 2.071 10 30 CEEERN O=[N+]([O-])c1cccc(/C=N/NC2=NCCCCC2)c1 ZINC000005574485 170115283 /nfs/dbraw/zinc/11/52/83/170115283.db2.gz MELRKOJMXILROJ-XNTDXEJSSA-N 0 0 260.297 2.491 10 30 CEEERN COc1ccc(/C=N/N=C2/C(=O)Nc3ccccc32)cc1O ZINC000005860210 170147665 /nfs/dbraw/zinc/14/76/65/170147665.db2.gz BAPNSMDNAUAHSZ-RQZCQDPDSA-N 0 0 295.298 2.176 10 30 CEEERN C=CCNC(=S)N/N=C/c1ccc(OCC)c(OC)c1 ZINC000005980484 170165141 /nfs/dbraw/zinc/16/51/41/170165141.db2.gz SLSSGTGPPREXNB-MHWRWJLKSA-N 0 0 293.392 2.078 10 30 CEEERN CCOC(=O)/C(=N\Nc1ccc(OC)cc1)N(CC)CC ZINC000006937383 170256606 /nfs/dbraw/zinc/25/66/06/170256606.db2.gz OKJMUOLHFKDBHY-SAPNQHFASA-N 0 0 293.367 2.326 10 30 CEEERN N/C(=N\O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000019504794 170817157 /nfs/dbraw/zinc/81/71/57/170817157.db2.gz WJDOJLZOWGCSOW-UHFFFAOYSA-N 0 0 282.303 2.008 10 30 CEEERN C/C(CCc1ccc(OCC(=O)NC(C)C)cc1)=N\O ZINC000019514268 170822194 /nfs/dbraw/zinc/82/21/94/170822194.db2.gz PWBCNCMRUXNGOL-SFQUDFHCSA-N 0 0 278.352 2.373 10 30 CEEERN COc1cc(C#N)ccc1O[C@@H](C)C(=O)N1CCCCC1 ZINC000020298101 171138003 /nfs/dbraw/zinc/13/80/03/171138003.db2.gz LPCSZTLDSRCPDB-LBPRGKRZSA-N 0 0 288.347 2.347 10 30 CEEERN C#CCNC(=O)[C@@H](C)Nc1cccc(Cl)c1F ZINC000020368315 171166155 /nfs/dbraw/zinc/16/61/55/171166155.db2.gz KNVBOODFNIQGSQ-MRVPVSSYSA-N 0 0 254.692 2.029 10 30 CEEERN C#CCNC(=O)[C@H](C)Nc1cccc(Cl)c1F ZINC000020368317 171166281 /nfs/dbraw/zinc/16/62/81/171166281.db2.gz KNVBOODFNIQGSQ-QMMMGPOBSA-N 0 0 254.692 2.029 10 30 CEEERN N#Cc1cccc(C2(O)CCC3(CC2)OCCO3)c1 ZINC000021988553 171346120 /nfs/dbraw/zinc/34/61/20/171346120.db2.gz TUWCZMCIWMJTGJ-UHFFFAOYSA-N 0 0 259.305 2.063 10 30 CEEERN CCCCCCCC(=O)NCCCC[C@H]([NH3+])C(=O)[O-] ZINC000032841053 171754773 /nfs/dbraw/zinc/75/47/73/171754773.db2.gz DUZODDYGMSCYMJ-LBPRGKRZSA-N 0 0 272.389 2.045 10 30 endogenous,in-man CEEERN COc1ccc(OC)c(C=Nn2c(C)n[nH]c2=S)c1 ZINC000035418119 172190252 /nfs/dbraw/zinc/19/02/52/172190252.db2.gz FTLMIXAZLDVVSP-QPEQYQDCSA-N 0 0 278.337 2.149 10 30 CEEERN 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180383716 /nfs/dbraw/zinc/38/37/16/180383716.db2.gz MYVDUYRXXJYSLY-UHFFFAOYSA-N 0 0 254.293 2.012 10 30 CEEERN C#CCn1cnc(-c2ccc(OC)c(OC(F)F)c2)c1N ZINC000106832298 186137775 /nfs/dbraw/zinc/13/77/75/186137775.db2.gz HIKYSYUYDAEMBL-UHFFFAOYSA-N 0 0 293.273 2.376 10 30 CEEERN C=CC[N@@H+](CC(=O)[O-])C[C@@H]1CSc2ccccc21 ZINC000092465704 180391428 /nfs/dbraw/zinc/39/14/28/180391428.db2.gz BJUXBBWPJYPCNM-LLVKDONJSA-N 0 0 263.362 2.449 10 30 CEEERN C=CC[N@H+](CC(=O)[O-])[C@H](C)c1ccc2c(c1)OCCO2 ZINC000092469146 180391761 /nfs/dbraw/zinc/39/17/61/180391761.db2.gz NEFQJGBFYOEAEJ-LLVKDONJSA-N 0 0 277.320 2.091 10 30 CEEERN C=CC[N@H+](CC(=O)[O-])Cc1cc(=O)oc2cc(C)ccc12 ZINC000092466753 180390826 /nfs/dbraw/zinc/39/08/26/180390826.db2.gz LEXXBLDIOGGRJH-UHFFFAOYSA-N 0 0 287.315 2.174 10 30 CEEERN C[C@H](C#N)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000109445253 186252655 /nfs/dbraw/zinc/25/26/55/186252655.db2.gz WXXDROQDORUFMU-GFCCVEGCSA-N 0 0 283.331 2.103 10 30 CEEERN C[C@@H](C#N)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000109445176 186253014 /nfs/dbraw/zinc/25/30/14/186253014.db2.gz PMAOLWAEMGHLCX-JTQLQIEISA-N 0 0 295.745 2.149 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000109446238 186253049 /nfs/dbraw/zinc/25/30/49/186253049.db2.gz WDHMPQLNALROGU-HNNXBMFYSA-N 0 0 285.391 2.363 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000109446030 186253051 /nfs/dbraw/zinc/25/30/51/186253051.db2.gz BMZWJOOMEDUDPY-CQSZACIVSA-N 0 0 263.385 2.013 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000109446300 186253059 /nfs/dbraw/zinc/25/30/59/186253059.db2.gz KEILPABCZFSDBF-CQSZACIVSA-N 0 0 291.782 2.400 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000109446691 186253416 /nfs/dbraw/zinc/25/34/16/186253416.db2.gz LAQGERHOBQYMQV-CQSZACIVSA-N 0 0 289.354 2.194 10 30 CEEERN C=CCN(CC(=O)OCC)C(=O)C1(C)CCCC1 ZINC000110050966 186282991 /nfs/dbraw/zinc/28/29/91/186282991.db2.gz YUJOEXSWCVRIGS-UHFFFAOYSA-N 0 0 253.342 2.144 10 30 CEEERN C[C@H]1CCCN(C(=O)c2ccc(C#CCO)s2)CC1 ZINC000110817694 186326294 /nfs/dbraw/zinc/32/62/94/186326294.db2.gz DQZSFQXTXAZGIE-LBPRGKRZSA-N 0 0 277.389 2.354 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NCc1n[nH]nc1-c1ccccc1 ZINC000110925491 186333596 /nfs/dbraw/zinc/33/35/96/186333596.db2.gz VJPYVCQZKUXCHU-QWHCGFSZSA-N 0 0 267.336 2.254 10 30 CEEERN CCc1cc(-n2c3ccccc3nc2CC#N)ncn1 ZINC000110949592 186335880 /nfs/dbraw/zinc/33/58/80/186335880.db2.gz QANVRTQDXQYDOE-UHFFFAOYSA-N 0 0 263.304 2.444 10 30 CEEERN Cc1cc(N)cnc1-n1c(CC#N)nc2ccccc21 ZINC000110951551 186336910 /nfs/dbraw/zinc/33/69/10/186336910.db2.gz ZLNNKBIWSSCNHA-UHFFFAOYSA-N 0 0 263.304 2.377 10 30 CEEERN Cc1ccc(NS(=O)(=O)C(C)(C)C)c(C#CCCO)c1 ZINC000111073117 186350674 /nfs/dbraw/zinc/35/06/74/186350674.db2.gz FLIULDUBCQCOEG-UHFFFAOYSA-N 0 0 295.404 2.269 10 30 CEEERN CCCOCCOC[C@@](C#N)(NCC)c1ccccc1 ZINC000111110225 186353374 /nfs/dbraw/zinc/35/33/74/186353374.db2.gz STLRLQWONYDPEV-MRXNPFEDSA-N 0 0 276.380 2.458 10 30 CEEERN CCOCCN(CC)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000111119321 186355086 /nfs/dbraw/zinc/35/50/86/186355086.db2.gz KIWOMRLTNSRXPC-ZDUSSCGKSA-N 0 0 289.379 2.244 10 30 CEEERN N#Cc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000111241986 186374311 /nfs/dbraw/zinc/37/43/11/186374311.db2.gz SJXPIVXZIATRGV-CYBMUJFWSA-N 0 0 298.264 2.397 10 30 CEEERN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000111242635 186375139 /nfs/dbraw/zinc/37/51/39/186375139.db2.gz YYTRIKWXTMZGSY-CQSZACIVSA-N 0 0 297.276 2.377 10 30 CEEERN O=C(Nc1ncc(C#CCO)s1)c1ccc2cc[nH]c2c1 ZINC000111289320 186391245 /nfs/dbraw/zinc/39/12/45/186391245.db2.gz GUJISEJKZQHWLE-UHFFFAOYSA-N 0 0 297.339 2.221 10 30 CEEERN N#CC1(C(=O)N2[C@@H]3CC[C@H]2CC(O)C3)CCCCCC1 ZINC000111397715 186411813 /nfs/dbraw/zinc/41/18/13/186411813.db2.gz QCPQGWKPWKPFEG-PBWFPOADSA-N 0 0 276.380 2.365 10 30 CEEERN CC(=O)NCCc1ccccc1C#CBr ZINC000114043484 186603679 /nfs/dbraw/zinc/60/36/79/186603679.db2.gz KSOAPNGZGYPSFD-UHFFFAOYSA-N 0 0 266.138 2.069 10 30 CEEERN CC(C)Nc1ncnc2c1ncn2C[C@@H](C#N)CCC#N ZINC000116400984 186711878 /nfs/dbraw/zinc/71/18/78/186711878.db2.gz IANQMXQHQOVJCV-LLVKDONJSA-N 0 0 283.339 2.090 10 30 CEEERN C[C@H]1C[C@@H](C(=O)n2ncc(C#N)c2N)CC(C)(C)C1 ZINC000183418919 291047829 /nfs/dbraw/zinc/04/78/29/291047829.db2.gz RKSWSPZRKGUZOI-VHSXEESVSA-N 0 0 260.341 2.440 10 30 CEEERN N#Cc1ccc(F)cc1CN1CCC[C@@H](n2cncn2)C1 ZINC000177302787 283152282 /nfs/dbraw/zinc/15/22/82/283152282.db2.gz SZOUYSTZUQSABA-OAHLLOKOSA-N 0 0 285.326 2.126 10 30 CEEERN COC(=O)Cc1cc(C#N)cc(C=O)c1C(F)(F)F ZINC000575391047 366268134 /nfs/dbraw/zinc/26/81/34/366268134.db2.gz GIGDTNGXUFYQLE-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN COC(=O)c1cc(C#N)cc(OC(F)(F)F)c1C=O ZINC000575391206 366268412 /nfs/dbraw/zinc/26/84/12/366268412.db2.gz PAHGWPMSBCTZJI-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1O ZINC000575391571 366269610 /nfs/dbraw/zinc/26/96/10/366269610.db2.gz APFNCOFUIHQUCM-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN CCOC(=O)c1cc(C#N)cc(O)c1OC(F)(F)F ZINC000575391879 366269734 /nfs/dbraw/zinc/26/97/34/366269734.db2.gz SXTHCZAJEWYIHH-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)Cc1c(OC)cc(C#N)cc1OC(F)(F)F ZINC000575394061 366272402 /nfs/dbraw/zinc/27/24/02/366272402.db2.gz HYWIJWBKSFTYSC-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1cc(C#N)c(OC(F)(F)F)cc1C ZINC000575394409 366273769 /nfs/dbraw/zinc/27/37/69/366273769.db2.gz HCVKVSFMGDVYPT-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN C=CCOc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1OC ZINC000075531357 363473147 /nfs/dbraw/zinc/47/31/47/363473147.db2.gz XRQRMLNNUKTADZ-JQWIXIFHSA-N 0 0 261.321 2.398 10 30 CEEERN N#CCc1c(OC(F)(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575649691 366312623 /nfs/dbraw/zinc/31/26/23/366312623.db2.gz OVOFAFVWCOLQHD-UHFFFAOYSA-N 0 0 271.154 2.431 10 30 CEEERN N#CCc1cc(OC(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575641795 366309737 /nfs/dbraw/zinc/30/97/37/366309737.db2.gz VCCNTNWITOBHEF-UHFFFAOYSA-N 0 0 253.164 2.134 10 30 CEEERN N#CCc1cc(N)cc(Br)c1[N+](=O)[O-] ZINC000575715272 366343156 /nfs/dbraw/zinc/34/31/56/366343156.db2.gz ZOSAIMLFQCZDJW-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN N#CCc1cc(I)c(N)cc1F ZINC000575718206 366344062 /nfs/dbraw/zinc/34/40/62/366344062.db2.gz GAVAQKZMORVGQP-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN N#Cc1cnc(N[C@H]2CCCn3ncnc32)c(Cl)c1 ZINC000176853884 283237749 /nfs/dbraw/zinc/23/77/49/283237749.db2.gz YBSXNPCVRZJKSV-JTQLQIEISA-N 0 0 274.715 2.145 10 30 CEEERN N#Cc1cnn(-c2ccccc2N)c1Br ZINC000072190432 283245149 /nfs/dbraw/zinc/24/51/49/283245149.db2.gz JQFCFKLQNDOOCJ-UHFFFAOYSA-N 0 0 263.098 2.089 10 30 CEEERN N#Cc1cccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000135813627 366474699 /nfs/dbraw/zinc/47/46/99/366474699.db2.gz FAZWRLJTTBNNKI-INIZCTEOSA-N 0 0 293.326 2.247 10 30 CEEERN COc1cccc(/C=N/[C@@H]2CCCn3nc(C)nc32)c1O ZINC000081551493 363728340 /nfs/dbraw/zinc/72/83/40/363728340.db2.gz VBESBPLFWKOXTI-GFQQVXNGSA-N 0 0 286.335 2.255 10 30 CEEERN N#Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000178317452 189106721 /nfs/dbraw/zinc/10/67/21/189106721.db2.gz DJSOBCGWMIPSOD-JSGCOSHPSA-N 0 0 273.336 2.231 10 30 CEEERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C#N)o1 ZINC000179202959 189177574 /nfs/dbraw/zinc/17/75/74/189177574.db2.gz FOUWUKGJRKUXFQ-UGFHNGPFSA-N 0 0 288.347 2.457 10 30 CEEERN C#CCSCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183046837 189343788 /nfs/dbraw/zinc/34/37/88/189343788.db2.gz CZOZNQQFOQCVPA-ZDUSSCGKSA-N 0 0 292.408 2.013 10 30 CEEERN CO[C@@H]1CCC[C@H](Nc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000301775785 201189635 /nfs/dbraw/zinc/18/96/35/201189635.db2.gz LCXDPRGJKIRQEC-WDEREUQCSA-N 0 0 276.296 2.231 10 30 CEEERN Cc1cc(N2CCC[C@H]2C[C@H](C)O)c(C#N)c(C)n1 ZINC000301780832 201194718 /nfs/dbraw/zinc/19/47/18/201194718.db2.gz RSWZQKPETQVOJW-AAEUAGOBSA-N 0 0 259.353 2.310 10 30 CEEERN Cc1nc2nc(Sc3cccc(C#N)n3)nn2c(C)c1C ZINC000301823853 201217649 /nfs/dbraw/zinc/21/76/49/201217649.db2.gz HYSXLWWBUPCCEK-UHFFFAOYSA-N 0 0 296.359 2.467 10 30 CEEERN C#CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000185524313 189415703 /nfs/dbraw/zinc/41/57/03/189415703.db2.gz VYURKALQKNVXCP-LBPRGKRZSA-N 0 0 294.395 2.162 10 30 CEEERN O=C(CS)Nc1ccc(OC(F)(F)F)cc1 ZINC000084825485 363822778 /nfs/dbraw/zinc/82/27/78/363822778.db2.gz PUMPMIFQQNLCFZ-UHFFFAOYSA-N 0 0 251.229 2.454 10 30 CEEERN C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)COC)cc1 ZINC000103429074 364652098 /nfs/dbraw/zinc/65/20/98/364652098.db2.gz GMTULJBJWOZFQX-LLVKDONJSA-N 0 0 291.351 2.215 10 30 CEEERN C[C@H]1CCCN(c2cc(N3CCC(C#N)CC3)ncn2)C1 ZINC000105788961 364701614 /nfs/dbraw/zinc/70/16/14/364701614.db2.gz AFSDQLWUTMCJKZ-ZDUSSCGKSA-N 0 0 285.395 2.453 10 30 CEEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)nc1 ZINC000583614666 367072931 /nfs/dbraw/zinc/07/29/31/367072931.db2.gz AWYKKQDENKFTLI-BMFZPTHFSA-N 0 0 299.374 2.109 10 30 CEEERN C[C@]1(C(=O)Nc2nc3cccnc3[nH]2)CCCNC1=O ZINC000330320827 291376590 /nfs/dbraw/zinc/37/65/90/291376590.db2.gz RVCRUMCNLZGMQG-ZDUSSCGKSA-N 0 0 273.296 2.303 10 30 CEEERN C=CCSCCNC(=O)N1CCS[C@@H](C)C1 ZINC000170881874 367439385 /nfs/dbraw/zinc/43/93/85/367439385.db2.gz NOUNDWYJTOLJIG-JTQLQIEISA-N 0 0 260.428 2.053 10 30 CEEERN COC[C@H](C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175022992 368091400 /nfs/dbraw/zinc/09/14/00/368091400.db2.gz NTZGFIQHVNPUMT-NSHDSACASA-N 0 0 299.292 2.456 10 30 CEEERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(C#N)cc1C ZINC000187679091 369201834 /nfs/dbraw/zinc/20/18/34/369201834.db2.gz KBJGFRVIHYTETC-MRXNPFEDSA-N 0 0 286.331 2.034 10 30 CEEERN C=CCCCC(=O)N1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000191750800 369738791 /nfs/dbraw/zinc/73/87/91/369738791.db2.gz TWIXOOZRUZKWHF-CQSZACIVSA-N 0 0 277.368 2.159 10 30 CEEERN COC(=O)[C@@]1(CCC#N)CCN(C(=O)OC(C)(C)C)C1 ZINC000205469878 370154951 /nfs/dbraw/zinc/15/49/51/370154951.db2.gz CROAAHFYPVUNKP-AWEZNQCLSA-N 0 0 282.340 2.090 10 30 CEEERN N#Cc1nc(NCCOC2CCCC2)ccc1[N+](=O)[O-] ZINC000236420735 370588827 /nfs/dbraw/zinc/58/88/27/370588827.db2.gz ZYBWBFXXSTZKPJ-UHFFFAOYSA-N 0 0 276.296 2.233 10 30 CEEERN N#Cc1cc2c(nc1N1CC(n3cccn3)C1)CCCC2 ZINC000371389290 373865890 /nfs/dbraw/zinc/86/58/90/373865890.db2.gz PHZFNICDKZCSGB-UHFFFAOYSA-N 0 0 279.347 2.090 10 30 CEEERN CCN(C(=O)C#CBr)c1cccc(O)c1 ZINC000307517706 376566599 /nfs/dbraw/zinc/56/65/99/376566599.db2.gz XTARNCBIMYIMGB-UHFFFAOYSA-N 0 0 268.110 2.101 10 30 CEEERN C[C@H]1CCCCC[C@@H]1NC(=O)C#CBr ZINC000306318881 376545482 /nfs/dbraw/zinc/54/54/82/376545482.db2.gz VDFJMKRUSYJWHH-UWVGGRQHSA-N 0 0 258.159 2.427 10 30 CEEERN Cc1nc(C[C@H]2CCCN(c3ccc(C#N)cn3)C2)no1 ZINC000299633388 379081818 /nfs/dbraw/zinc/08/18/18/379081818.db2.gz TXZAUOZRVUREMI-GFCCVEGCSA-N 0 0 283.335 2.104 10 30 CEEERN Cc1ccc([C@@](C)(O)CNc2cccc(C#N)n2)o1 ZINC000301408658 379279049 /nfs/dbraw/zinc/27/90/49/379279049.db2.gz IORGCMRPUZBECE-AWEZNQCLSA-N 0 0 257.293 2.174 10 30 CEEERN C=CCO[C@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 ZINC000302137924 379323202 /nfs/dbraw/zinc/32/32/02/379323202.db2.gz ILCMNZLLYXDFHY-JTQLQIEISA-N 0 0 263.728 2.388 10 30 CEEERN C=CCO[C@H]1CCN(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000302144392 379324799 /nfs/dbraw/zinc/32/47/99/379324799.db2.gz KGIPRCKURJETJT-AWEZNQCLSA-N 0 0 299.378 2.060 10 30 CEEERN C=CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000302191407 379329326 /nfs/dbraw/zinc/32/93/26/379329326.db2.gz VSHIOHLKCPCDFF-GFCCVEGCSA-N 0 0 278.308 2.385 10 30 CEEERN COC(=O)c1ccc(CNc2ccc(C)c(C#N)n2)o1 ZINC000302709888 379431287 /nfs/dbraw/zinc/43/12/87/379431287.db2.gz KITAQFIPTHHARI-UHFFFAOYSA-N 0 0 271.276 2.253 10 30 CEEERN COc1cc(C=O)ccc1Oc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302749276 379444374 /nfs/dbraw/zinc/44/43/74/379444374.db2.gz UREVUOASHQTHNF-UHFFFAOYSA-N 0 0 299.242 2.475 10 30 CEEERN CCC[C@]1(COC)CCCN1c1cnc(C#N)cn1 ZINC000302832323 379462780 /nfs/dbraw/zinc/46/27/80/379462780.db2.gz RKKIFYAKONRIER-CQSZACIVSA-N 0 0 260.341 2.134 10 30 CEEERN C#CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000405569519 542272582 /nfs/dbraw/zinc/27/25/82/542272582.db2.gz CMTPRBFDZMRGKK-MNOVXSKESA-N 0 0 251.326 2.082 10 30 CEEERN C=CCCC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000182628040 542282829 /nfs/dbraw/zinc/28/28/29/542282829.db2.gz CPJUAGWJTZKQNS-NWDGAFQWSA-N 0 0 278.352 2.259 10 30 CEEERN CC(C)(C)OC[C@H](O)CNc1cccc(F)c1C#N ZINC000037892679 184543076 /nfs/dbraw/zinc/54/30/76/184543076.db2.gz GVMGRNRDLDXUQV-SNVBAGLBSA-N 0 0 266.316 2.285 10 30 CEEERN CCOC(=O)[C@@H](F)Oc1ccc(C#N)cc1OCC ZINC000092833667 184629686 /nfs/dbraw/zinc/62/96/86/184629686.db2.gz IKUBWZINMXDZKB-LBPRGKRZSA-N 0 0 267.256 2.194 10 30 CEEERN O=c1cc(CS)nc2sc(-c3ccccc3)nn21 ZINC000019772679 285217913 /nfs/dbraw/zinc/21/79/13/285217913.db2.gz QIEJSXLTRCGPOQ-UHFFFAOYSA-N 0 0 275.358 2.248 10 30 CEEERN COCCN(c1cccc(F)c1C#N)[C@@H](C)COC ZINC000093396611 184671141 /nfs/dbraw/zinc/67/11/41/184671141.db2.gz MEIZVPODKNWSFY-NSHDSACASA-N 0 0 266.316 2.185 10 30 CEEERN COc1ccc(O)c(/C=N/[C@H]2CCCn3nc(C)nc32)c1 ZINC000081551490 177816446 /nfs/dbraw/zinc/81/64/46/177816446.db2.gz ULTAPDGVTAHDKS-WFSQQTBHSA-N 0 0 286.335 2.255 10 30 CEEERN CCCN(CC(=O)N(C)C)C[C@@H](C#N)c1ccccc1 ZINC000080799201 177709316 /nfs/dbraw/zinc/70/93/16/177709316.db2.gz PMVLMAAIXQSSHL-OAHLLOKOSA-N 0 0 273.380 2.094 10 30 CEEERN COc1cccc(N[C@H](C#N)c2cnn(C)c2C)c1 ZINC000093650998 184702978 /nfs/dbraw/zinc/70/29/78/184702978.db2.gz RCOPIEPTEOTFQL-CQSZACIVSA-N 0 0 256.309 2.414 10 30 CEEERN CCN[C@@]1(C#N)CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC000093805190 184723823 /nfs/dbraw/zinc/72/38/23/184723823.db2.gz OAKDJXFNOGOOJI-KBPBESRZSA-N 0 0 275.308 2.398 10 30 CEEERN CN[C@@]1(C#N)CC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC000093805278 184724299 /nfs/dbraw/zinc/72/42/99/184724299.db2.gz DLGFYESWECXPFV-GWCFXTLKSA-N 0 0 279.271 2.147 10 30 CEEERN CCCN(C(=O)c1csc(C#CCO)c1)C1CC1 ZINC000093974158 184746915 /nfs/dbraw/zinc/74/69/15/184746915.db2.gz BMBDFEJRIIQIKR-UHFFFAOYSA-N 0 0 263.362 2.107 10 30 CEEERN Cc1cccn(Cc2cc(F)cc(C#CCCO)c2)c1=O ZINC000093982141 184747882 /nfs/dbraw/zinc/74/78/82/184747882.db2.gz RFLYZMCQHRIOBT-UHFFFAOYSA-N 0 0 285.318 2.078 10 30 CEEERN C[C@](N)(C(=O)Nc1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000094232754 184766828 /nfs/dbraw/zinc/76/68/28/184766828.db2.gz BDBQBPCWHHGBFA-JTQLQIEISA-N 0 0 291.660 2.430 10 30 CEEERN CC(C)n1ncnc1C[C@@]1(C#N)CCC(C)(C)C1=O ZINC000094314494 184779567 /nfs/dbraw/zinc/77/95/67/184779567.db2.gz DCAYSXSQTKCXOG-CQSZACIVSA-N 0 0 260.341 2.301 10 30 CEEERN C=CCN1C(=O)N=C(N)[C@@H]1c1ccc(OC)c(C)c1 ZINC000094516363 184813432 /nfs/dbraw/zinc/81/34/32/184813432.db2.gz FCWVXRDMZZNORJ-LBPRGKRZSA-N 0 0 259.309 2.024 10 30 CEEERN Cc1cc(C(=O)N(C)[C@@H](C)CC#N)sc1C#CCCO ZINC000094535327 184814400 /nfs/dbraw/zinc/81/44/00/184814400.db2.gz FXOVIXHKFXQBKD-LBPRGKRZSA-N 0 0 290.388 2.165 10 30 CEEERN N#Cc1ccc(NC[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000094592095 184822228 /nfs/dbraw/zinc/82/22/28/184822228.db2.gz LUFFINJMURLCJE-ZWNOBZJWSA-N 0 0 261.281 2.039 10 30 CEEERN CCN(Cc1cccc(C)n1)c1c(C#N)c(C)nn1C ZINC000094915410 184893306 /nfs/dbraw/zinc/89/33/06/184893306.db2.gz RLKHACFRJHQKLW-UHFFFAOYSA-N 0 0 269.352 2.330 10 30 CEEERN Cc1ccc(C(=O)Nc2cccc(C#N)c2)c(NN)c1 ZINC000094924439 184895370 /nfs/dbraw/zinc/89/53/70/184895370.db2.gz NVPWRLPQXFIZOX-UHFFFAOYSA-N 0 0 266.304 2.405 10 30 CEEERN C[C@H](C#N)CN1c2cc(Br)ccc2OCC1=O ZINC000036677086 134820867 /nfs/dbraw/zinc/82/08/67/134820867.db2.gz FBQLVVDOFHUNMB-MRVPVSSYSA-N 0 0 295.136 2.334 10 30 CEEERN C[C@@H]1Oc2cc(N)ccc2N(CC2(CC#N)CC2)C1=O ZINC000088255465 135053575 /nfs/dbraw/zinc/05/35/75/135053575.db2.gz PJWVLBUKPYYPAL-JTQLQIEISA-N 0 0 271.320 2.077 10 30 CEEERN N#C[C@H]1CN(c2ccc(N)cc2C(F)(F)F)CCO1 ZINC000093932334 135082804 /nfs/dbraw/zinc/08/28/04/135082804.db2.gz HJIRDIDDCUEKRJ-VIFPVBQESA-N 0 0 271.242 2.016 10 30 CEEERN CCCOc1cc(N2CCO[C@@H](C#N)C2)ccc1[N+](=O)[O-] ZINC000093933013 135082872 /nfs/dbraw/zinc/08/28/72/135082872.db2.gz UTZPWPUWGFJICG-LBPRGKRZSA-N 0 0 291.307 2.112 10 30 CEEERN CC1=NNC(=O)C1=NNc1cccc2ccccc21 ZINC000012575465 394463152 /nfs/dbraw/zinc/46/31/52/394463152.db2.gz PMFVYWDVBCWVBO-UHFFFAOYSA-N 0 0 252.277 2.113 10 30 CEEERN C#CCCC(=O)Nc1cc(Br)ccn1 ZINC000232451649 394481338 /nfs/dbraw/zinc/48/13/38/394481338.db2.gz KIWSBCDNIRLUGE-UHFFFAOYSA-N 0 0 253.099 2.196 10 30 CEEERN COc1cc(CN[C@@H]2CCC[C@@H]2C#N)cc(OC)c1OC ZINC000061891035 394568759 /nfs/dbraw/zinc/56/87/59/394568759.db2.gz QEMPPXFEYBLRFE-CHWSQXEVSA-N 0 0 290.363 2.494 10 30 CEEERN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061889676 394569113 /nfs/dbraw/zinc/56/91/13/394569113.db2.gz MPOMWPTYKIHBMY-OLZOCXBDSA-N 0 0 278.377 2.274 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000061890798 394569155 /nfs/dbraw/zinc/56/91/55/394569155.db2.gz VHEVISAVAXSIIO-VXNVDRBHSA-N 0 0 282.141 2.199 10 30 CEEERN COc1cc(C#N)ccc1CN1[C@H](C)COC[C@H]1C ZINC000121034112 394790626 /nfs/dbraw/zinc/79/06/26/394790626.db2.gz RFDXAWNFMDDVBE-VXGBXAGGSA-N 0 0 260.337 2.176 10 30 CEEERN CC(C)(C#N)c1ccccc1CN1C[C@@H](F)C[C@H]1CO ZINC000346407548 395098091 /nfs/dbraw/zinc/09/80/91/395098091.db2.gz MLBHLWXNXALVRR-KBPBESRZSA-N 0 0 276.355 2.392 10 30 CEEERN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000182599690 395245576 /nfs/dbraw/zinc/24/55/76/395245576.db2.gz IXZBHKHWCUFOJF-YPMHNXCESA-N 0 0 277.368 2.247 10 30 CEEERN C[C@@H](C#N)CNC(=O)N[C@H](C)COCc1ccccc1 ZINC000182692022 395246954 /nfs/dbraw/zinc/24/69/54/395246954.db2.gz ULLXHRYLLOKPEK-QWHCGFSZSA-N 0 0 275.352 2.051 10 30 CEEERN C[C@H]1OCCC[C@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000190122975 395335428 /nfs/dbraw/zinc/33/54/28/395335428.db2.gz VUAOMSHGLPNARN-BXUZGUMPSA-N 0 0 258.321 2.336 10 30 CEEERN COC(=O)c1cc(C(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575344042 395660279 /nfs/dbraw/zinc/66/02/79/395660279.db2.gz NAYUTVJJBXJCPF-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COC(=O)c1cc([N+](=O)[O-])cc(C(F)F)c1C#N ZINC000575344076 395660303 /nfs/dbraw/zinc/66/03/03/395660303.db2.gz OFGSNPYABIVLJB-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COC(=O)c1cc(C(F)F)cc([N+](=O)[O-])c1C#N ZINC000575344240 395660318 /nfs/dbraw/zinc/66/03/18/395660318.db2.gz XSWNKTMYUNGAOF-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COC(=O)Cc1c(C#N)c(F)ccc1C(F)(F)F ZINC000575345070 395660399 /nfs/dbraw/zinc/66/03/99/395660399.db2.gz UYEDDQRFVQBRLF-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN CCOC(=O)c1cnc(C#N)cc1OC(F)(F)F ZINC000575374269 395661225 /nfs/dbraw/zinc/66/12/25/395661225.db2.gz GSZOSZSANUUHSJ-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)c1c(C#N)cncc1OC(F)(F)F ZINC000575374265 395661320 /nfs/dbraw/zinc/66/13/20/395661320.db2.gz FWMJJTUFWJKFRE-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)c1cc(OC(F)(F)F)cnc1C#N ZINC000575374344 395661451 /nfs/dbraw/zinc/66/14/51/395661451.db2.gz OZTKKCADOOGIJV-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)Cc1c(Cl)ccc(C#N)c1C=O ZINC000575382700 395662086 /nfs/dbraw/zinc/66/20/86/395662086.db2.gz BBZGXHPUWJGHSM-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)c1cc(Cl)c(C#N)cc1[N+](=O)[O-] ZINC000575382840 395662354 /nfs/dbraw/zinc/66/23/54/395662354.db2.gz GEIRXIJWGSZQPB-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)c1c(C#N)ccc([N+](=O)[O-])c1Cl ZINC000575382846 395662362 /nfs/dbraw/zinc/66/23/62/395662362.db2.gz GVRVFSDCIMTYHG-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(Br)c1C=O ZINC000575382967 395662621 /nfs/dbraw/zinc/66/26/21/395662621.db2.gz CJZWDMSNXCQKJE-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN COC(=O)Cc1c(F)c(C#N)ccc1OC(F)F ZINC000575385781 395662941 /nfs/dbraw/zinc/66/29/41/395662941.db2.gz KWFPTQIGDLLGBJ-UHFFFAOYSA-N 0 0 259.183 2.014 10 30 CEEERN COC(=O)Cc1c(OC(F)F)ccc(C)c1C#N ZINC000575387249 395663154 /nfs/dbraw/zinc/66/31/54/395663154.db2.gz FOFDEMPTWNACAO-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C(F)F)c(C=O)c1 ZINC000575387285 395663245 /nfs/dbraw/zinc/66/32/45/395663245.db2.gz ABUZBDMKYNQPII-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN CCOC(=O)c1cc(C(F)F)cc(CO)c1C#N ZINC000575388021 395663382 /nfs/dbraw/zinc/66/33/82/395663382.db2.gz RZSKAQLZEDWQHA-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)c1c(C#N)cc(CO)cc1C(F)F ZINC000575388138 395663403 /nfs/dbraw/zinc/66/34/03/395663403.db2.gz YTHHNUYWDBAXTA-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)cc(OC)c1C#N ZINC000575388483 395663638 /nfs/dbraw/zinc/66/36/38/395663638.db2.gz KMAUHORNMGFFPX-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN CCOc1ccc(N2CC(=O)S/C2=N/C#N)cc1 ZINC000100710090 400248982 /nfs/dbraw/zinc/24/89/82/400248982.db2.gz BXDCCSNMYDMBQO-WYMLVPIESA-N 0 0 261.306 2.002 10 30 CEEERN COC(=O)c1cc(Br)c(C)c(C#N)c1 ZINC000306370223 400332593 /nfs/dbraw/zinc/33/25/93/400332593.db2.gz GGYBNPRXULQJHI-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN Cc1cc(C#N)cc(N2CCC[C@H]2c2cnn(C)c2)n1 ZINC000370541168 156587946 /nfs/dbraw/zinc/58/79/46/156587946.db2.gz CAHPLHQAXCHQLC-AWEZNQCLSA-N 0 0 267.336 2.337 10 30 CEEERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(C#N)cc1 ZINC000177169426 165190536 /nfs/dbraw/zinc/19/05/36/165190536.db2.gz LXCCGBAGLIFZBB-INIZCTEOSA-N 0 0 294.358 2.368 10 30 CEEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000177383436 165196111 /nfs/dbraw/zinc/19/61/11/165196111.db2.gz NRUSWFAWVKGBHA-LBPRGKRZSA-N 0 0 269.304 2.467 10 30 CEEERN C[C@@H]1C/C(=N\N=C2/NC(=O)CS2)CC(C)(C)C1 ZINC000001184535 287191622 /nfs/dbraw/zinc/19/16/22/287191622.db2.gz GKIBALMFDWYXPK-JLDJTVBFSA-N 0 0 253.371 2.408 10 30 CEEERN COc1ccc(OC)c(NC(=N)c2ccncc2)c1 ZINC000005733056 170134927 /nfs/dbraw/zinc/13/49/27/170134927.db2.gz CPWOXKAVRFQOTE-UHFFFAOYSA-N 0 0 257.293 2.136 10 30 CEEERN C=CCN1C(=O)C2(OCCO2)c2cccc(Cl)c21 ZINC000008047199 170316255 /nfs/dbraw/zinc/31/62/55/170316255.db2.gz LIQOFVCBUGYYPS-UHFFFAOYSA-N 0 0 265.696 2.072 10 30 CEEERN CCCCN1C[C@@H](C(=O)Nc2ccccc2C#N)CC1=O ZINC000008270469 170327803 /nfs/dbraw/zinc/32/78/03/170327803.db2.gz GMVMQTFEWFPDKP-ZDUSSCGKSA-N 0 0 285.347 2.145 10 30 CEEERN N#Cc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 ZINC000013606044 170568404 /nfs/dbraw/zinc/56/84/04/170568404.db2.gz ZRVIDGPXDANAJK-UHFFFAOYSA-N 0 0 257.270 2.497 10 30 CEEERN C=CCNC(=O)[C@H](C)NCc1ccccc1Cl ZINC000020315188 171146097 /nfs/dbraw/zinc/14/60/97/171146097.db2.gz WHKVDTPLZMJOCL-JTQLQIEISA-N 0 0 252.745 2.120 10 30 CEEERN C=CCNC(=O)[C@@H](C)Nc1cc(OC)c(Cl)cc1OC ZINC000020358487 171157738 /nfs/dbraw/zinc/15/77/38/171157738.db2.gz RNWFBELDJZKWEX-SECBINFHSA-N 0 0 298.770 2.460 10 30 CEEERN CCN[C@H](C#N)c1cc(Br)c(O)c(OC)c1 ZINC000020379170 171172175 /nfs/dbraw/zinc/17/21/75/171172175.db2.gz FWGRZRILXUKIQQ-SECBINFHSA-N 0 0 285.141 2.337 10 30 CEEERN C=CCn1c(CC)nnc1SCC(=O)OC(C)C ZINC000020425642 171192234 /nfs/dbraw/zinc/19/22/34/171192234.db2.gz JXYYMOABUUZOCF-UHFFFAOYSA-N 0 0 269.370 2.070 10 30 CEEERN Cc1nn(C(C)C)c(C)c1C=NNc1n[nH]c(=S)[nH]1 ZINC000020805198 171273377 /nfs/dbraw/zinc/27/33/77/171273377.db2.gz JYARXDOGUFPWGM-LFYBBSHMSA-N 0 0 279.373 2.308 10 30 CEEERN N#Cc1ccc(OCC(=O)Nc2ccc(F)cc2N)cc1 ZINC000022212325 171373941 /nfs/dbraw/zinc/37/39/41/171373941.db2.gz CTBUZBCFJIBZEO-UHFFFAOYSA-N 0 0 285.278 2.297 10 30 CEEERN CNC(=O)O/N=C(/CSc1cccc[n+]1[O-])C(C)(C)C ZINC000033374092 171787444 /nfs/dbraw/zinc/78/74/44/171787444.db2.gz UWAPSMRXVDDNPD-GDNBJRDFSA-N 0 0 297.380 2.170 10 30 CEEERN COc1cc(NC2=N[C@@H](C)CS2)cc(OC)c1OC ZINC000035294495 172106182 /nfs/dbraw/zinc/10/61/82/172106182.db2.gz HNLTTYNZALYHKB-QMMMGPOBSA-N 0 0 282.365 2.425 10 30 CEEERN CCCC1N=NC(=S)N1N=Cc1ccc(N(C)C)cc1 ZINC000035387710 172169749 /nfs/dbraw/zinc/16/97/49/172169749.db2.gz IOHVVGOQVCNZIR-GDNBJRDFSA-N 0 0 289.408 2.468 10 30 CEEERN C=CCNC(=O)[C@H](C)Oc1ccc([C@H](O)CC)cc1 ZINC000035628216 172306656 /nfs/dbraw/zinc/30/66/56/172306656.db2.gz HWRQYKSPIGJOLX-SMDDNHRTSA-N 0 0 263.337 2.200 10 30 CEEERN CN(Cc1ccsc1)c1ccccc1/C(N)=N/O ZINC000035719248 172373316 /nfs/dbraw/zinc/37/33/16/172373316.db2.gz GLPDVFYAEPEQLJ-UHFFFAOYSA-N 0 0 261.350 2.479 10 30 CEEERN Cc1ccc(C(=O)N2CCN(C(C)(C)C#N)CC2)cc1 ZINC000036155749 172478096 /nfs/dbraw/zinc/47/80/96/172478096.db2.gz ABZYQCXPJIBZKG-UHFFFAOYSA-N 0 0 271.364 2.055 10 30 CEEERN COc1cc([C@@H](C#N)C(=O)[C@H]2CCCO2)ccc1C ZINC000037347351 173144022 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276.380 2.438 10 30 CEEERN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1cnn(C)c1Cl ZINC000892964686 627904926 /nfs/dbraw/zinc/90/49/26/627904926.db2.gz BXBVBAIBIBLTCC-ONGXEEELSA-N 0 0 283.759 2.383 10 30 CEEERN C=C(C)CS(=O)(=O)Nc1ccc(-n2ccnc2C)cc1 ZINC000223440495 639423290 /nfs/dbraw/zinc/42/32/90/639423290.db2.gz ABRRNNNSVNIACR-UHFFFAOYSA-N 0 0 291.376 2.499 10 30 CEEERN C#CCCCNC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000173320487 639851113 /nfs/dbraw/zinc/85/11/13/639851113.db2.gz MPTMIIVCKURPKM-UHFFFAOYSA-N 0 0 288.395 2.025 10 30 CEEERN CC[C@@H]1OCC[C@@H]1C(=O)N(C)c1ccccc1C#N ZINC000233929389 641346254 /nfs/dbraw/zinc/34/62/54/641346254.db2.gz VSHFLKDYUJQASR-JSGCOSHPSA-N 0 0 258.321 2.336 10 30 CEEERN O=C(C#Cc1ccc(F)cc1)NC(=O)Cc1ccccc1 ZINC000095831362 185029536 /nfs/dbraw/zinc/02/95/36/185029536.db2.gz LMAKZMRPBRJYLP-UHFFFAOYSA-N 0 0 281.286 2.063 10 30 CEEERN Cc1nc2n(n1)CCC[C@@H]2NCc1ccc(C#N)cc1 ZINC000083475933 282100651 /nfs/dbraw/zinc/10/06/51/282100651.db2.gz GUABKCBREJHHPC-AWEZNQCLSA-N 0 0 267.336 2.083 10 30 CEEERN OCCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725245427 539191382 /nfs/dbraw/zinc/19/13/82/539191382.db2.gz GPVLWKMMWYEAMA-UHFFFAOYSA-N 0 0 265.110 2.059 10 30 CEEERN CC[C@@]1(C)NC(=O)N(N=Cc2ccc(C)s2)C1=O ZINC000002632443 529538008 /nfs/dbraw/zinc/53/80/08/529538008.db2.gz XSYGEUDRWBGQFE-GKWYLQRDSA-N 0 0 265.338 2.111 10 30 CEEERN C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000045032575 362157970 /nfs/dbraw/zinc/15/79/70/362157970.db2.gz WGKAJWVICBFKKG-ZWNOBZJWSA-N 0 0 259.309 2.247 10 30 CEEERN CCCOc1ccc(/C=C/C(=O)NO)cc1OCC ZINC000005298824 343353965 /nfs/dbraw/zinc/35/39/65/343353965.db2.gz AJSCNQJAGCMGAK-SOFGYWHQSA-N 0 0 265.309 2.393 10 30 CEEERN N#Cc1ccc2[nH]cc(I)c2n1 ZINC000044712865 343477494 /nfs/dbraw/zinc/47/74/94/343477494.db2.gz JXCJZRQDEVTQNK-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN O=[N+]([O-])c1cccc(C#Cc2ccccc2CO)c1 ZINC000116471346 344286636 /nfs/dbraw/zinc/28/66/36/344286636.db2.gz NXXYMAYKUZKVBV-UHFFFAOYSA-N 0 0 253.257 2.487 10 30 CEEERN C#CCOc1ccc(C)nc1I ZINC000166045803 344475400 /nfs/dbraw/zinc/47/54/00/344475400.db2.gz WVFYBTIQCZQSEU-UHFFFAOYSA-N 0 0 273.073 2.007 10 30 CEEERN Cc1nn(CCO)c(C)c1Oc1ccc(C#N)c(F)c1 ZINC000166096479 344475428 /nfs/dbraw/zinc/47/54/28/344475428.db2.gz XNDKNAMXVFVFGR-UHFFFAOYSA-N 0 0 275.283 2.295 10 30 CEEERN N#Cc1cc2c(nc1I)CCCC2 ZINC000167717507 344479168 /nfs/dbraw/zinc/47/91/68/344479168.db2.gz FCFYJAASQOVAET-UHFFFAOYSA-N 0 0 284.100 2.437 10 30 CEEERN C[C@H]1NC(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000199113763 344527004 /nfs/dbraw/zinc/52/70/04/344527004.db2.gz QAFWYKRMHLEXSZ-ZCFIWIBFSA-N 0 0 299.277 2.187 10 30 CEEERN C#C[C@@H](NC)c1ccc(F)cc1I ZINC000234449051 344584791 /nfs/dbraw/zinc/58/47/91/344584791.db2.gz MLECKPUAIXLTEP-SNVBAGLBSA-N 0 0 289.091 2.324 10 30 CEEERN N#Cc1cc(Br)c2c(c1)C(=O)CCO2 ZINC000238052755 344605639 /nfs/dbraw/zinc/60/56/39/344605639.db2.gz DZYRLDJPJZKIQH-UHFFFAOYSA-N 0 0 252.067 2.286 10 30 CEEERN COC(=O)c1ccc(Br)c(CC#N)c1 ZINC000238379690 344606275 /nfs/dbraw/zinc/60/62/75/344606275.db2.gz IKKUAWDVRRLIHM-UHFFFAOYSA-N 0 0 254.083 2.302 10 30 CEEERN COC(=O)Cc1ccc(Br)cc1C#N ZINC000238389947 344606687 /nfs/dbraw/zinc/60/66/87/344606687.db2.gz AWUIZUQCGFNXFY-UHFFFAOYSA-N 0 0 254.083 2.036 10 30 CEEERN NC(=S)NN=C/C(Br)=C/c1ccccc1 ZINC000257354513 344647574 /nfs/dbraw/zinc/64/75/74/344647574.db2.gz YFFZKDMAFFSNTO-UNGMXIRPSA-N 0 0 284.182 2.241 10 30 CEEERN CC(=O)/C=C/c1ncc(I)s1 ZINC000307542068 344723491 /nfs/dbraw/zinc/72/34/91/344723491.db2.gz PERKDUSZKSMECG-NSCUHMNNSA-N 0 0 279.102 2.350 10 30 CEEERN C#CCNCc1cc(OC)ccc1Br ZINC000083702876 178701867 /nfs/dbraw/zinc/70/18/67/178701867.db2.gz AWVNCWBXRVUACE-UHFFFAOYSA-N 0 0 254.127 2.181 10 30 CEEERN N#C[C@H](Cn1cc(Br)cn1)C(F)(F)F ZINC000300035369 344698464 /nfs/dbraw/zinc/69/84/64/344698464.db2.gz YQLQKIYZJNGEPB-RXMQYKEDSA-N 0 0 268.036 2.348 10 30 CEEERN O=C(CC1(O)CCCC1)NC[C@H]1CCn2ccnc2C1 ZINC000328635430 344757208 /nfs/dbraw/zinc/75/72/08/344757208.db2.gz USMYIWMSLQIPKO-LBPRGKRZSA-N 0 0 277.368 2.097 10 30 CEEERN O=C(NC[C@@H]1CCn2ccnc2C1)C1=COCCC1 ZINC000328614231 344755763 /nfs/dbraw/zinc/75/57/63/344755763.db2.gz ABYDEFBOHQWJQP-LLVKDONJSA-N 0 0 261.325 2.096 10 30 CEEERN CCn1cnnc1[C@@H]1CN(CCCC(C)(C)C#N)CCO1 ZINC000328631708 344756772 /nfs/dbraw/zinc/75/67/72/344756772.db2.gz KTPROHMIRRFTMO-ZDUSSCGKSA-N 0 0 291.399 2.001 10 30 CEEERN C#CCN[C@H](c1ccccc1)P(=O)(OC)OC ZINC000584602379 344962968 /nfs/dbraw/zinc/96/29/68/344962968.db2.gz WSQAYMOSZGPGEU-LBPRGKRZSA-N 0 0 253.238 2.394 10 30 CEEERN CC(C)(CCO[C@H]1CCCCO1)CCOS(C)(=O)=O ZINC000584620299 344967089 /nfs/dbraw/zinc/96/70/89/344967089.db2.gz CUJYYFUDIWXBFN-LBPRGKRZSA-N 0 0 294.413 2.312 10 30 CEEERN Nc1cc2c(cc1O)CCN1C=CCc3cccc-2c31 ZINC000584636054 344970510 /nfs/dbraw/zinc/97/05/10/344970510.db2.gz LRSPAJBFSYEPPI-OAHLLOKOSA-N 0 0 264.328 2.186 10 30 CEEERN N#Cc1ccc(Br)c(N2CCOCC2)c1F ZINC000584635465 344970529 /nfs/dbraw/zinc/97/05/29/344970529.db2.gz DEKBWEZTLSROLU-UHFFFAOYSA-N 0 0 285.116 2.296 10 30 CEEERN CC(C)[C@@]1(C#N)CCN(C(=O)c2ccc(F)cc2)C1=O ZINC000584633985 344970681 /nfs/dbraw/zinc/97/06/81/344970681.db2.gz VCDJZWAOHCNFTG-HNNXBMFYSA-N 0 0 274.295 2.364 10 30 CEEERN N#CCC[C@H](O)c1cncc(I)c1 ZINC000584636259 344971199 /nfs/dbraw/zinc/97/11/99/344971199.db2.gz IABWQDOELCVDKN-VIFPVBQESA-N 0 0 288.088 2.023 10 30 CEEERN O=C(CCCC[C@H](S)CCS)NCCS ZINC000584639452 344971760 /nfs/dbraw/zinc/97/17/60/344971760.db2.gz KBICLMYZOSDRQG-VIFPVBQESA-N 0 0 267.485 2.211 10 30 CEEERN C=CCn1c(Cl)nc2cc(OC)ccc2c1=O ZINC000584641157 344972151 /nfs/dbraw/zinc/97/21/51/344972151.db2.gz KPNFJGVHXSNWTH-UHFFFAOYSA-N 0 0 250.685 2.245 10 30 CEEERN CC(C)(C#N)CCN1c2ccc(N)cc2CCC1=O ZINC000087592153 534987531 /nfs/dbraw/zinc/98/75/31/534987531.db2.gz DIYMLZUCHOWUPE-UHFFFAOYSA-N 0 0 257.337 2.488 10 30 CEEERN N#Cc1cccc(N[C@@H]2CCC[C@H](O)C2)c1[N+](=O)[O-] ZINC000590685763 345160804 /nfs/dbraw/zinc/16/08/04/345160804.db2.gz MCNQTBOJHBNLJT-MNOVXSKESA-N 0 0 261.281 2.182 10 30 CEEERN N#Cc1ncccc1CS(=O)(=O)c1ccc(F)cc1 ZINC000084240807 178831046 /nfs/dbraw/zinc/83/10/46/178831046.db2.gz HYMWBTZLEKYMAO-UHFFFAOYSA-N 0 0 276.292 2.066 10 30 CEEERN CC[C@H](C)[S@](=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000084261286 178834153 /nfs/dbraw/zinc/83/41/53/178834153.db2.gz IBGRJUCEFACJLL-YPMLDQLKSA-N 0 0 264.350 2.044 10 30 CEEERN N#Cc1ccncc1NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 ZINC000591635619 345271084 /nfs/dbraw/zinc/27/10/84/345271084.db2.gz IKZZTFZIUAWPRX-SWLSCSKDSA-N 0 0 283.335 2.256 10 30 CEEERN CCCOCCO[C@@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000084307012 178853745 /nfs/dbraw/zinc/85/37/45/178853745.db2.gz YHOYWOMTPYVMOE-JSGCOSHPSA-N 0 0 254.374 2.242 10 30 CEEERN COc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000061889083 362696032 /nfs/dbraw/zinc/69/60/32/362696032.db2.gz UZCWJTSHZCUDLJ-CHWSQXEVSA-N 0 0 288.347 2.055 10 30 CEEERN CCN(C(C)=O)c1nc(CN[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000061892026 362696618 /nfs/dbraw/zinc/69/66/18/362696618.db2.gz FDCNZQWSKOCAQC-DGCLKSJQSA-N 0 0 292.408 2.298 10 30 CEEERN COc1cc(OC)c(CN[C@@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000061891798 362697745 /nfs/dbraw/zinc/69/77/45/362697745.db2.gz OOKCLRWSYBNGLW-BXUZGUMPSA-N 0 0 290.363 2.494 10 30 CEEERN N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCOC[C@H]1O ZINC000599176116 346473129 /nfs/dbraw/zinc/47/31/29/346473129.db2.gz JNMIBOQHBFNQFO-NWDGAFQWSA-N 0 0 286.253 2.139 10 30 CEEERN Cc1cc(C)c(C#N)c(N2CCC[C@H](n3cncn3)C2)n1 ZINC000173746991 136564437 /nfs/dbraw/zinc/56/44/37/136564437.db2.gz ASOOWCMVQKCTFA-ZDUSSCGKSA-N 0 0 282.351 2.003 10 30 CEEERN C=CCN1C(=O)C2(CCCCC2)NC(=O)[C@H]1[C@@H](C)CC ZINC000085757556 179150040 /nfs/dbraw/zinc/15/00/40/179150040.db2.gz VHLYUWRIYYDMOH-QWHCGFSZSA-N 0 0 278.396 2.248 10 30 CEEERN COc1cc(Br)c([C@@H](O)CC#N)cc1OC ZINC000085878133 179195944 /nfs/dbraw/zinc/19/59/44/179195944.db2.gz IEOOHGRLSJVYHR-VIFPVBQESA-N 0 0 286.125 2.413 10 30 CEEERN N#CC[C@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000085878858 179196384 /nfs/dbraw/zinc/19/63/84/179196384.db2.gz CLXQEGFAYWEHKG-VIFPVBQESA-N 0 0 284.109 2.167 10 30 CEEERN COC(=O)[C@@H](NC1CC(C#N)(c2ccccc2)C1)C(C)C ZINC000086036731 179221061 /nfs/dbraw/zinc/22/10/61/179221061.db2.gz XOIZUAJAPNHWSC-CKDBGZEDSA-N 0 0 286.375 2.398 10 30 CEEERN N#Cc1cc2c(nc1N[C@@H]1CCC[C@H](O)C1)CCC2 ZINC000603865498 347393182 /nfs/dbraw/zinc/39/31/82/347393182.db2.gz KAFRWDFJZUJXTL-OLZOCXBDSA-N 0 0 257.337 2.157 10 30 CEEERN CCC(CC)(CC)NS(=O)(=O)c1ccc(N)cc1C#N ZINC000086642175 179314755 /nfs/dbraw/zinc/31/47/55/179314755.db2.gz NJEABXRUUXIEIZ-UHFFFAOYSA-N 0 0 295.408 2.388 10 30 CEEERN N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H](O)C2)c1 ZINC000613411912 348041502 /nfs/dbraw/zinc/04/15/02/348041502.db2.gz ABCBISXVPPOXPL-QWRGUYRKSA-N 0 0 261.281 2.182 10 30 CEEERN CCC1CCC(O)(CNc2c(C#N)c(C)nn2C)CC1 ZINC000087067791 179390845 /nfs/dbraw/zinc/39/08/45/179390845.db2.gz AQBWDCZRLFFQFP-UHFFFAOYSA-N 0 0 276.384 2.343 10 30 CEEERN O=C(c1sccc1C#CCO)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087782242 179485261 /nfs/dbraw/zinc/48/52/61/179485261.db2.gz UNRGCEZVAZPAAZ-JSGCOSHPSA-N 0 0 289.400 2.497 10 30 CEEERN COc1ccc(C#CCCO)c(Cn2cc(Cl)cn2)c1 ZINC000087787618 179486468 /nfs/dbraw/zinc/48/64/68/179486468.db2.gz BTSPJRDTFATGBX-UHFFFAOYSA-N 0 0 290.750 2.327 10 30 CEEERN CCNc1ncc(Br)c(N(C)CCC#N)n1 ZINC000087801164 179487580 /nfs/dbraw/zinc/48/75/80/179487580.db2.gz NMNFNYOMUHQKIX-UHFFFAOYSA-N 0 0 284.161 2.021 10 30 CEEERN CS(=O)(=O)N1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616631384 348541347 /nfs/dbraw/zinc/54/13/47/348541347.db2.gz YTJXWBZZVZZTAV-CQSZACIVSA-N 0 0 278.377 2.087 10 30 CEEERN N#CCCN(c1ncnc2cc(N)ccc21)C1CC1 ZINC000087820716 179493263 /nfs/dbraw/zinc/49/32/63/179493263.db2.gz OCPLAEVLUVIFTN-UHFFFAOYSA-N 0 0 253.309 2.094 10 30 CEEERN COc1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1C#N ZINC000087832435 179497148 /nfs/dbraw/zinc/49/71/48/179497148.db2.gz LMAQYJKOJDMWBN-UHFFFAOYSA-N 0 0 292.682 2.373 10 30 CEEERN CCOC(=O)N1CCOCC[C@H]1c1ccccc1C#N ZINC000616656324 348550135 /nfs/dbraw/zinc/55/01/35/348550135.db2.gz FSWDNSXZLFCVCC-AWEZNQCLSA-N 0 0 274.320 2.478 10 30 CEEERN CCOC(=O)N1CCOCC[C@@H]1c1cccc(C#N)c1 ZINC000616659229 348551039 /nfs/dbraw/zinc/55/10/39/348551039.db2.gz OKVJOPGCXOWVSR-CQSZACIVSA-N 0 0 274.320 2.478 10 30 CEEERN CC[C@H](C)CN(C)c1ccc(F)cc1/C(N)=N/O ZINC000104253282 185944996 /nfs/dbraw/zinc/94/49/96/185944996.db2.gz GRCINVVUQLOCEQ-VIFPVBQESA-N 0 0 253.321 2.403 10 30 CEEERN C[C@H](OCC(=O)Nc1cccc(C#N)c1)C(F)(F)F ZINC000090672918 180020744 /nfs/dbraw/zinc/02/07/44/180020744.db2.gz YHCCVNKOWUPMFJ-QMMMGPOBSA-N 0 0 272.226 2.464 10 30 CEEERN C[C@@H](OC[C@@](N)(C#N)c1ccccc1)C(F)(F)F ZINC000090673981 180021943 /nfs/dbraw/zinc/02/19/43/180021943.db2.gz SJTMQBSSRSMKBD-KOLCDFICSA-N 0 0 258.243 2.332 10 30 CEEERN CCOC(=O)NCC#CCOc1ccccc1Cl ZINC000090728434 180032935 /nfs/dbraw/zinc/03/29/35/180032935.db2.gz BFNJQBALPAHPDI-UHFFFAOYSA-N 0 0 267.712 2.468 10 30 CEEERN C=CCNC(=O)NCC#CCOc1ccccc1CC=C ZINC000090731801 180033804 /nfs/dbraw/zinc/03/38/04/180033804.db2.gz UECVAEOKKKBHLS-UHFFFAOYSA-N 0 0 284.359 2.283 10 30 CEEERN C[C@H](N)c1nc(C(=O)Nc2ccccc2C#N)cs1 ZINC000090945889 180069301 /nfs/dbraw/zinc/06/93/01/180069301.db2.gz BZYUNRNEVNRCNL-QMMMGPOBSA-N 0 0 272.333 2.287 10 30 CEEERN CCNC(=O)C[C@H](C#N)Nc1cccc(Br)c1 ZINC000091316748 180134040 /nfs/dbraw/zinc/13/40/40/180134040.db2.gz YHBJLFWIYPFHSO-LLVKDONJSA-N 0 0 296.168 2.279 10 30 CEEERN COc1ccccc1N[C@H](C#N)CC(=O)N1CCCC1 ZINC000091324980 180134690 /nfs/dbraw/zinc/13/46/90/180134690.db2.gz CCANASIGALHRSS-LBPRGKRZSA-N 0 0 273.336 2.012 10 30 CEEERN N#C[C@H](CC(=O)N1CCCC1)Nc1ccccc1F ZINC000091324982 180135100 /nfs/dbraw/zinc/13/51/00/180135100.db2.gz RRBPNRAGYREVJS-NSHDSACASA-N 0 0 261.300 2.142 10 30 CEEERN C[C@H](CCO)SCc1ccc(C#CCO)cc1F ZINC000091266384 180117268 /nfs/dbraw/zinc/11/72/68/180117268.db2.gz CMVUPYOJLPBXRW-LLVKDONJSA-N 0 0 268.353 2.174 10 30 CEEERN CSc1ccc(NC(=O)c2ccncc2C#CCO)cc1 ZINC000091457477 180161106 /nfs/dbraw/zinc/16/11/06/180161106.db2.gz VLDKDUDWDJXIOT-UHFFFAOYSA-N 0 0 298.367 2.400 10 30 CEEERN 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Cc1ccc(C#N)cc1NC(=O)c1cc(N)cc(N)c1 ZINC000050428765 526004599 /nfs/dbraw/zinc/00/45/99/526004599.db2.gz BVGJHCZZSATHOT-UHFFFAOYSA-N 0 0 266.304 2.283 10 30 CEEERN Cc1ccc(C#N)cc1NS(=O)(=O)CC(C)C ZINC000066584087 526006812 /nfs/dbraw/zinc/00/68/12/526006812.db2.gz OKVLRSYUYXUJDJ-UHFFFAOYSA-N 0 0 252.339 2.264 10 30 CEEERN N#CCCN(C(=O)[C@H](C#N)c1ccccc1)C1CC1 ZINC000061615164 526451737 /nfs/dbraw/zinc/45/17/37/526451737.db2.gz JRYAAKPHPIKLCY-CQSZACIVSA-N 0 0 253.305 2.198 10 30 CEEERN N#C[C@@](CN(CC(F)(F)F)C1CC1)(NC1CC1)C1CC1 ZINC000069079146 526501903 /nfs/dbraw/zinc/50/19/03/526501903.db2.gz GDUOAXFDSJAXHX-ZDUSSCGKSA-N 0 0 287.329 2.437 10 30 CEEERN N#C[C@H](CO)Cc1ccc(Br)cc1F ZINC000063064055 526508729 /nfs/dbraw/zinc/50/87/29/526508729.db2.gz VEPFCERGNMXXMH-SSDOTTSWSA-N 0 0 258.090 2.263 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC000069394040 526513747 /nfs/dbraw/zinc/51/37/47/526513747.db2.gz RANLVQSHUKPVEA-AGIUHOORSA-N 0 0 250.342 2.144 10 30 CEEERN N#C[C@](CN1CCc2ccccc2C1)(NC1CC1)C1CC1 ZINC000069076769 526514679 /nfs/dbraw/zinc/51/46/79/526514679.db2.gz OMNQZPWRENXGNG-GOSISDBHSA-N 0 0 281.403 2.469 10 30 CEEERN C=CCNC(=O)c1ccc(N2CCS[C@H](C)[C@H]2C)nc1 ZINC000301257193 526641566 /nfs/dbraw/zinc/64/15/66/526641566.db2.gz BVFLKEAUSPBSEC-VXGBXAGGSA-N 0 0 291.420 2.328 10 30 CEEERN N#Cc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000069401794 526642135 /nfs/dbraw/zinc/64/21/35/526642135.db2.gz YJRQCCKZKHGQCA-YGRLFVJLSA-N 0 0 276.311 2.430 10 30 CEEERN N#Cc1ccc(OCc2ccnc(C#N)c2)c([N+](=O)[O-])c1 ZINC000068768450 526677408 /nfs/dbraw/zinc/67/74/08/526677408.db2.gz FVVRGGOJAZJISP-UHFFFAOYSA-N 0 0 280.243 2.312 10 30 CEEERN N#Cc1ccc(OCc2cc([N+](=O)[O-])ccc2NN)cc1 ZINC000051149758 526677944 /nfs/dbraw/zinc/67/79/44/526677944.db2.gz XGPJZIKRDOGOKM-UHFFFAOYSA-N 0 0 284.275 2.331 10 30 CEEERN N#Cc1ccc(Sc2ncnc3[nH]cnc32)cc1 ZINC000051036409 526686724 /nfs/dbraw/zinc/68/67/24/526686724.db2.gz GGMOYOWHFBOYQR-UHFFFAOYSA-N 0 0 253.290 2.376 10 30 CEEERN N#Cc1ncccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000061664546 526790140 /nfs/dbraw/zinc/79/01/40/526790140.db2.gz ALFAGKMXSAYIED-LSDHHAIUSA-N 0 0 257.337 2.097 10 30 CEEERN C=CCCO[C@@H](C)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110885443 527375249 /nfs/dbraw/zinc/37/52/49/527375249.db2.gz DQFDVBAMAIVVOJ-RYUDHWBXSA-N 0 0 296.392 2.024 10 30 CEEERN CC1(C)C[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000330223551 527706958 /nfs/dbraw/zinc/70/69/58/527706958.db2.gz AHXMBWVKMPZQGO-CHWSQXEVSA-N 0 0 276.384 2.308 10 30 CEEERN CC(C)[C@H](C)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000174742891 528966779 /nfs/dbraw/zinc/96/67/79/528966779.db2.gz KNKRNQIHLPTXLU-LBPRGKRZSA-N 0 0 275.352 2.281 10 30 CEEERN CCC1(C(=O)N2CCN(C)[C@H](C#N)C2)CCCCC1 ZINC000336060564 528986467 /nfs/dbraw/zinc/98/64/67/528986467.db2.gz IUTKOXQJLZGTQV-CYBMUJFWSA-N 0 0 263.385 2.013 10 30 CEEERN CC(=O)[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000310209379 625426940 /nfs/dbraw/zinc/42/69/40/625426940.db2.gz DCVRZLXADVNLGF-MRVPVSSYSA-N 0 0 269.757 2.474 10 30 CEEERN COC(=O)N[C@@H](C(=O)OCC(C)(C)CCC#N)C(C)C ZINC000195059927 628524035 /nfs/dbraw/zinc/52/40/35/628524035.db2.gz IPZRYPKFJQKEPR-LLVKDONJSA-N 0 0 284.356 2.240 10 30 CEEERN CCCCCCCS(=O)(=O)NCC(=O)C(C)C ZINC000195455357 628534830 /nfs/dbraw/zinc/53/48/30/628534830.db2.gz SZYWYOFROWNHAR-UHFFFAOYSA-N 0 0 263.403 2.101 10 30 CEEERN C#C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248517052 628629883 /nfs/dbraw/zinc/62/98/83/628629883.db2.gz HMFHDSGLAVPDRE-IVZWLZJFSA-N 0 0 262.275 2.428 10 30 CEEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2C(F)(F)F)[nH]1 ZINC000913019770 639188652 /nfs/dbraw/zinc/18/86/52/639188652.db2.gz IZMAPDMEGGTSEZ-SECBINFHSA-N 0 0 257.215 2.053 10 30 CEEERN C#C[C@H](C)OC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000174471847 639929979 /nfs/dbraw/zinc/92/99/79/639929979.db2.gz XBDIMYQDTACDJQ-YDHLFZDLSA-N 0 0 287.359 2.396 10 30 CEEERN C=C(Br)CNC(=O)N1CCS[C@@H](C)C1 ZINC000170879492 641432465 /nfs/dbraw/zinc/43/24/65/641432465.db2.gz FOCSQVCKESEKHQ-QMMMGPOBSA-N 0 0 279.203 2.042 10 30 CEEERN C#CCOC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000069200004 641509174 /nfs/dbraw/zinc/50/91/74/641509174.db2.gz LYGIBMGTXGPXNH-GXTWGEPZSA-N 0 0 273.332 2.008 10 30 CEEERN C#CCOCCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182184876 641629678 /nfs/dbraw/zinc/62/96/78/641629678.db2.gz ISXUKOIQXBRPGD-GUYCJALGSA-N 0 0 271.360 2.384 10 30 CEEERN CC(C)[C@H](C)NS(=O)(=O)c1cccc(F)c1C#N ZINC000070397843 641664040 /nfs/dbraw/zinc/66/40/40/641664040.db2.gz JEJJKEDGVGUTQX-VIFPVBQESA-N 0 0 270.329 2.020 10 30 CEEERN CSC(=NC#N)N1CCN(c2ccccc2)CC1 ZINC000252679037 642759682 /nfs/dbraw/zinc/75/96/82/642759682.db2.gz XPSXOJWALOITLV-UHFFFAOYSA-N 0 0 260.366 2.009 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000130597000 652292124 /nfs/dbraw/zinc/29/21/24/652292124.db2.gz AWXGMEXXYXMKON-DGCLKSJQSA-N 0 0 259.305 2.449 10 30 CEEERN CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000131756569 652459341 /nfs/dbraw/zinc/45/93/41/652459341.db2.gz CKRJEDHDVBJLGG-IKWCTNDRSA-N 0 0 279.384 2.324 10 30 CEEERN CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000131756982 652459480 /nfs/dbraw/zinc/45/94/80/652459480.db2.gz CKRJEDHDVBJLGG-YWPUVAFDSA-N 0 0 279.384 2.324 10 30 CEEERN N#Cc1c[nH]nc1NC(=O)c1c(F)cccc1Cl ZINC000082287034 177947018 /nfs/dbraw/zinc/94/70/18/177947018.db2.gz KFNQYYOVHIDUAM-UHFFFAOYSA-N 0 0 264.647 2.326 10 30 CEEERN N#CC1=c2ccsc2=C(c2ccccc2)SC1 ZINC000082314811 177958749 /nfs/dbraw/zinc/95/87/49/177958749.db2.gz RJWPMXKSAFWPFL-UHFFFAOYSA-N 0 0 255.367 2.326 10 30 CEEERN N#Cc1ccsc1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125204498 187174865 /nfs/dbraw/zinc/17/48/65/187174865.db2.gz FULLKZNOWBGBAV-UHFFFAOYSA-N 0 0 286.360 2.363 10 30 CEEERN CC[C@]1(C)NC(=O)N(N=Cc2ccc(C)s2)C1=O ZINC000002632441 529413402 /nfs/dbraw/zinc/41/34/02/529413402.db2.gz XSYGEUDRWBGQFE-ALFJJAPYSA-N 0 0 265.338 2.111 10 30 CEEERN CC[C@]1(CO)CCCN(C(=O)NCCC2CCOCC2)C1 ZINC000330269092 529417579 /nfs/dbraw/zinc/41/75/79/529417579.db2.gz JCJBVBNNOGNNAL-INIZCTEOSA-N 0 0 298.427 2.202 10 30 CEEERN N#Cc1ccc(NCc2nc(-c3cccs3)n[nH]2)cn1 ZINC000080981258 344032444 /nfs/dbraw/zinc/03/24/44/344032444.db2.gz NYKPACHXWJMQEW-UHFFFAOYSA-N 0 0 282.332 2.412 10 30 CEEERN C=CCN1C(=O)COc2ccc(NC(=O)c3ccco3)cc21 ZINC000012121520 136378875 /nfs/dbraw/zinc/37/88/75/136378875.db2.gz JSXKHVWCBWLAER-UHFFFAOYSA-N 0 0 298.298 2.443 10 30 CEEERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000048497170 362279379 /nfs/dbraw/zinc/27/93/79/362279379.db2.gz IJOZUZIXVIDABY-VIFPVBQESA-N 0 0 293.754 2.311 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)CC1CCSCC1 ZINC000125416811 344319281 /nfs/dbraw/zinc/31/92/81/344319281.db2.gz ZIAGGHNRKCVASD-VXGBXAGGSA-N 0 0 252.383 2.328 10 30 CEEERN C#CC[C@H](NN)c1cc(Br)ccc1C ZINC000126645680 344325430 /nfs/dbraw/zinc/32/54/30/344325430.db2.gz DJHMMHDCFMOXNO-NSHDSACASA-N 0 0 253.143 2.285 10 30 CEEERN CCC(C#N)(CC)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160646070 344460565 /nfs/dbraw/zinc/46/05/65/344460565.db2.gz DLWBQESJFQIAJB-CJNGLKHVSA-N 0 0 278.396 2.470 10 30 CEEERN C[C@@H](OS(C)(=O)=O)c1cccc(Br)c1 ZINC000166214799 344475788 /nfs/dbraw/zinc/47/57/88/344475788.db2.gz RZBBPBBITMBDQF-SSDOTTSWSA-N 0 0 279.155 2.486 10 30 CEEERN C[C@@H](S)C(=O)NCc1ccccc1Br ZINC000235282087 344590391 /nfs/dbraw/zinc/59/03/91/344590391.db2.gz GADCTNHFDYMKQF-SSDOTTSWSA-N 0 0 274.183 2.384 10 30 CEEERN C[C@H](S)C(=O)NCc1ccc(Br)cc1 ZINC000235557652 344591696 /nfs/dbraw/zinc/59/16/96/344591696.db2.gz VAIJMWQUGKAUFZ-ZETCQYMHSA-N 0 0 274.183 2.384 10 30 CEEERN C#CC(=O)Nc1cc(Br)cnc1Cl ZINC000236042276 344594140 /nfs/dbraw/zinc/59/41/40/344594140.db2.gz JPFADGIUPQSBOE-UHFFFAOYSA-N 0 0 259.490 2.069 10 30 CEEERN C=C(Br)CNc1cccc(C(N)=O)c1 ZINC000236240287 344594979 /nfs/dbraw/zinc/59/49/79/344594979.db2.gz WIZUYQWGVKRBPQ-UHFFFAOYSA-N 0 0 255.115 2.106 10 30 CEEERN N/C(=N/O)c1ccc(Br)c(Br)c1 ZINC000236319039 344595517 /nfs/dbraw/zinc/59/55/17/344595517.db2.gz VQVCCYWJQIHWRU-UHFFFAOYSA-N 0 0 293.946 2.306 10 30 CEEERN COC(=O)c1c(Br)ccc(C#N)c1F ZINC000307041625 344719637 /nfs/dbraw/zinc/71/96/37/344719637.db2.gz OYJNAJWZJSBOIJ-UHFFFAOYSA-N 0 0 258.046 2.246 10 30 CEEERN CCc1nc(C#N)cc(N2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000308174524 344726991 /nfs/dbraw/zinc/72/69/91/344726991.db2.gz CXGQQWSULQXYCP-CHWSQXEVSA-N 0 0 272.352 2.058 10 30 CEEERN CCCCOC[C@H](O)CNc1cccc(CC#N)c1 ZINC000313480010 344742732 /nfs/dbraw/zinc/74/27/32/344742732.db2.gz OLIVLHPUEVDOQW-OAHLLOKOSA-N 0 0 262.353 2.342 10 30 CEEERN C=C(Br)C[N@H+]1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000306679839 344716155 /nfs/dbraw/zinc/71/61/55/344716155.db2.gz IZSIEOFJRAPRPZ-RKDXNWHRSA-N 0 0 262.147 2.080 10 30 CEEERN C[C@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)c1nccs1 ZINC000328632726 344757059 /nfs/dbraw/zinc/75/70/59/344757059.db2.gz SBVSPZSEWFVTEU-IUCAKERBSA-N 0 0 292.364 2.436 10 30 CEEERN Cc1cc(C#N)nc(N[C@H]2CNc3ccccc3C2)n1 ZINC000404448269 344880581 /nfs/dbraw/zinc/88/05/81/344880581.db2.gz LDGRZMOEGZMLAE-CYBMUJFWSA-N 0 0 265.320 2.105 10 30 CEEERN C=CC[C@@](OCC(=O)OC)(C(=O)OCC)c1ccccc1 ZINC000584595443 344961287 /nfs/dbraw/zinc/96/12/87/344961287.db2.gz VRHUNUDBSBSYJD-INIZCTEOSA-N 0 0 292.331 2.211 10 30 CEEERN O[C@H](C#Cc1ccccc1)/C=C\I ZINC000584611094 344964887 /nfs/dbraw/zinc/96/48/87/344964887.db2.gz OTDYFYKUQQVDPT-TYBABMIJSA-N 0 0 284.096 2.348 10 30 CEEERN COc1ncc(-c2cc(N)ccc2C)cc1C1(C#N)COC1 ZINC000584631776 344969847 /nfs/dbraw/zinc/96/98/47/344969847.db2.gz VPYHOXGXRVGYEU-UHFFFAOYSA-N 0 0 295.342 2.439 10 30 CEEERN CC(C)[C@]1(C#N)CCN(C(=O)c2ccc(F)cc2)C1=O ZINC000584633986 344970460 /nfs/dbraw/zinc/97/04/60/344970460.db2.gz VCDJZWAOHCNFTG-OAHLLOKOSA-N 0 0 274.295 2.364 10 30 CEEERN N#Cc1ccc(OCCS(=O)(=O)C2CCCC2)cc1 ZINC000084254956 178833079 /nfs/dbraw/zinc/83/30/79/178833079.db2.gz MTASUULDPFHHGA-UHFFFAOYSA-N 0 0 279.361 2.294 10 30 CEEERN C#CC[C@H](Cc1cccc2ccc(OC)cc21)NN ZINC000097621434 185639773 /nfs/dbraw/zinc/63/97/73/185639773.db2.gz DJHRXEWZVMYOSB-CQSZACIVSA-N 0 0 254.333 2.246 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccc1O ZINC000061888731 362695196 /nfs/dbraw/zinc/69/51/96/362695196.db2.gz OYHKCAPVADNXJH-LDYMZIIASA-N 0 0 264.712 2.468 10 30 CEEERN N#Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061889315 362695989 /nfs/dbraw/zinc/69/59/89/362695989.db2.gz FTWHLBOLPYRFFN-DGCLKSJQSA-N 0 0 254.293 2.372 10 30 CEEERN COC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891302 362697643 /nfs/dbraw/zinc/69/76/43/362697643.db2.gz NUSKNVVUUPUSDW-ZIAGYGMSSA-N 0 0 258.321 2.255 10 30 CEEERN C=CCN1C(=O)[C@@H](CCC)NC(=O)[C@H]1c1ccccc1 ZINC000085713981 179125839 /nfs/dbraw/zinc/12/58/39/179125839.db2.gz MLQZKSDRSNVXJG-ZIAGYGMSSA-N 0 0 272.348 2.041 10 30 CEEERN C[C@@H]1Cc2ccccc2N(C[C@@H](C#N)NC2CC2)C1 ZINC000103981410 136553670 /nfs/dbraw/zinc/55/36/70/136553670.db2.gz WOWLXAGUEHKTJX-IUODEOHRSA-N 0 0 255.365 2.329 10 30 CEEERN CC(C)N[C@@](C)(C#N)CN1CCN(C)c2ccccc21 ZINC000111461657 136561793 /nfs/dbraw/zinc/56/17/93/136561793.db2.gz FUUNUFLITDRFFZ-INIZCTEOSA-N 0 0 272.396 2.223 10 30 CEEERN C=CCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCCCC2 ZINC000085749049 179141433 /nfs/dbraw/zinc/14/14/33/179141433.db2.gz MBRXRZHSSSJCLP-CYBMUJFWSA-N 0 0 278.396 2.248 10 30 CEEERN C=CCN1C(=O)[C@](C)(CC)NC(=O)[C@H]1C1CCCCC1 ZINC000085755638 179146910 /nfs/dbraw/zinc/14/69/10/179146910.db2.gz LSXVCHINTBVYEP-CJNGLKHVSA-N 0 0 278.396 2.248 10 30 CEEERN C=CCN1C(=O)[C@H](C2CCCCC2)NC(=O)[C@@]1(C)C1CC1 ZINC000085776408 179160130 /nfs/dbraw/zinc/16/01/30/179160130.db2.gz CGNIUZSVAFISPN-WMLDXEAASA-N 0 0 290.407 2.248 10 30 CEEERN C[C@@H](C#N)CN(C)c1nc(Cl)ncc1Br ZINC000085787604 179171457 /nfs/dbraw/zinc/17/14/57/179171457.db2.gz WVTVXMYAPLJTSJ-LURJTMIESA-N 0 0 289.564 2.488 10 30 CEEERN N#CC1(c2ccccc2)CC(NCc2ncc[nH]2)C1 ZINC000086038587 179221224 /nfs/dbraw/zinc/22/12/24/179221224.db2.gz POHKBLDXHHDJEJ-UHFFFAOYSA-N 0 0 252.321 2.123 10 30 CEEERN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1nncn1C ZINC000086037010 179221243 /nfs/dbraw/zinc/22/12/43/179221243.db2.gz CHQCLSBLRIYILG-XEBKBJJBSA-N 0 0 281.363 2.090 10 30 CEEERN N#Cc1ccc(Cl)cc1NC(=O)c1cccnc1N ZINC000086112970 179234427 /nfs/dbraw/zinc/23/44/27/179234427.db2.gz UKOLBPQHDMJWNB-UHFFFAOYSA-N 0 0 272.695 2.441 10 30 CEEERN N#Cc1cc(N[C@@H]2CCC[C@H](O)C2)nc2ccccc12 ZINC000609891447 347655257 /nfs/dbraw/zinc/65/52/57/347655257.db2.gz NGZWZVMSZCQYBO-OLZOCXBDSA-N 0 0 267.332 2.244 10 30 CEEERN C#CC(C)(C)N1C(=O)[C@@H](C2CCCCC2)NC(=O)[C@H]1CC ZINC000086419124 179289837 /nfs/dbraw/zinc/28/98/37/179289837.db2.gz YRHDYIANEDYXMS-ZIAGYGMSSA-N 0 0 290.407 2.084 10 30 CEEERN N#CCNc1ccc(F)cc1I ZINC000086764796 179325496 /nfs/dbraw/zinc/32/54/96/179325496.db2.gz QBWQPYLWFDNNLB-UHFFFAOYSA-N 0 0 276.052 2.366 10 30 CEEERN C#CC(C)(C)Nc1nc2c(Br)cccn2n1 ZINC000087102399 179394666 /nfs/dbraw/zinc/39/46/66/179394666.db2.gz QGXJUTUFKZXNAF-UHFFFAOYSA-N 0 0 279.141 2.316 10 30 CEEERN Cc1nn(C)c(NCC2(O)CCCCCC2)c1C#N ZINC000087089678 179393415 /nfs/dbraw/zinc/39/34/15/179393415.db2.gz SSVWYXPFUOREFB-UHFFFAOYSA-N 0 0 262.357 2.097 10 30 CEEERN OCCC#Cc1cccc(OCC[C@@H]2CCCO2)c1 ZINC000087271747 179406907 /nfs/dbraw/zinc/40/69/07/179406907.db2.gz PUYHBUBPUKHPCV-HNNXBMFYSA-N 0 0 260.333 2.368 10 30 CEEERN CCC1CCC(C#N)(NC(=O)c2csnn2)CC1 ZINC000087466484 179429688 /nfs/dbraw/zinc/42/96/88/179429688.db2.gz WDBBVQXYRUILMS-UHFFFAOYSA-N 0 0 264.354 2.130 10 30 CEEERN Cc1ccc(C#CCCO)cc1C(=O)N1CC[C@@H](C)C1 ZINC000087746054 179480853 /nfs/dbraw/zinc/48/08/53/179480853.db2.gz MIUVMSMBKIXWEF-CYBMUJFWSA-N 0 0 271.360 2.211 10 30 CEEERN CC(C)(C)OC(=O)N1CCNC[C@H]1c1cccc(C#N)c1 ZINC000616635217 348541956 /nfs/dbraw/zinc/54/19/56/348541956.db2.gz FSAQPOURWMYULL-AWEZNQCLSA-N 0 0 287.363 2.440 10 30 CEEERN CCOC(=O)N1CCO[C@@H](c2cccc(C#N)c2)CC1 ZINC000616663561 348553579 /nfs/dbraw/zinc/55/35/79/348553579.db2.gz SLWFCLJORVWZQG-CQSZACIVSA-N 0 0 274.320 2.478 10 30 CEEERN O=C(Nc1ccc(F)cn1)c1ccc(C#CCCO)s1 ZINC000088248752 179570805 /nfs/dbraw/zinc/57/08/05/179570805.db2.gz ROZYEKJIMCYVHT-UHFFFAOYSA-N 0 0 290.319 2.268 10 30 CEEERN N#CCC1(COc2cc(C=O)ccc2[N+](=O)[O-])CC1 ZINC000088255573 179571387 /nfs/dbraw/zinc/57/13/87/179571387.db2.gz YQRCVPOJYKUWMH-UHFFFAOYSA-N 0 0 260.249 2.480 10 30 CEEERN CN[C@@](C#N)(CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088434480 179600376 /nfs/dbraw/zinc/60/03/76/179600376.db2.gz GIHDAFQDLXOBBV-RYUDHWBXSA-N 0 0 275.318 2.152 10 30 CEEERN Cc1cc(NC(=O)c2cccc(C#CCCO)c2C)no1 ZINC000088442803 179603303 /nfs/dbraw/zinc/60/33/03/179603303.db2.gz XJJZOYMCJRDKFK-UHFFFAOYSA-N 0 0 284.315 2.278 10 30 CEEERN CC[C@H](C#N)S(=O)(=O)N[C@@H](C)c1ccsc1 ZINC000088485516 179612353 /nfs/dbraw/zinc/61/23/53/179612353.db2.gz IFODKFCPQFELEV-WCBMZHEXSA-N 0 0 258.368 2.031 10 30 CEEERN CC(C)[C@H](NS(=O)(=O)[C@@H](C)C#N)c1cccs1 ZINC000088477136 179611584 /nfs/dbraw/zinc/61/15/84/179611584.db2.gz FJKAHWKBJWTSBK-ONGXEEELSA-N 0 0 272.395 2.277 10 30 CEEERN CCC[C@H](C#N)N1C(=O)c2cc(F)c(F)cc2C1=O ZINC000088570403 179627394 /nfs/dbraw/zinc/62/73/94/179627394.db2.gz VZSKIYWEFBHUJC-SSDOTTSWSA-N 0 0 264.231 2.253 10 30 CEEERN CCn1nc(C)cc1COc1ccc(C)cc1C#CCO ZINC000089201477 179753127 /nfs/dbraw/zinc/75/31/27/179753127.db2.gz STOUGIFRDFRWTL-UHFFFAOYSA-N 0 0 284.359 2.443 10 30 CEEERN Cc1ccc(C#N)c(NC[C@@H]2CCCC[C@H]2CO)n1 ZINC000089529026 179810607 /nfs/dbraw/zinc/81/06/07/179810607.db2.gz LETRGSJNDPYXQD-KBPBESRZSA-N 0 0 259.353 2.472 10 30 CEEERN CC(C)C1(O)CN(c2ccc(C#N)c(Cl)c2)C1 ZINC000089666980 179844750 /nfs/dbraw/zinc/84/47/50/179844750.db2.gz SYZYLYDGYCTRDF-UHFFFAOYSA-N 0 0 250.729 2.419 10 30 CEEERN C=CCCC(=O)Nc1ccn2ncc(C(=O)OCC)c2c1 ZINC000090653106 180018865 /nfs/dbraw/zinc/01/88/65/180018865.db2.gz GJFDSNJVDOAIOE-UHFFFAOYSA-N 0 0 287.319 2.416 10 30 CEEERN CC(C)(C)NC(=O)NCC#CCOc1ccccc1F ZINC000090727547 180032766 /nfs/dbraw/zinc/03/27/66/180032766.db2.gz PYNPXQOKCGUJQI-UHFFFAOYSA-N 0 0 278.327 2.306 10 30 CEEERN CCOCC(=O)NCC#CCOc1cccc2ccccc21 ZINC000090732826 180033272 /nfs/dbraw/zinc/03/32/72/180033272.db2.gz HWDAOSXWTIJFCT-UHFFFAOYSA-N 0 0 297.354 2.375 10 30 CEEERN CC(C)(C)NC(=O)C[C@@H](C#N)NC1CCCCCC1 ZINC000091322007 180134528 /nfs/dbraw/zinc/13/45/28/180134528.db2.gz AZBZAMQJQJJWEZ-ZDUSSCGKSA-N 0 0 265.401 2.496 10 30 CEEERN CC(=O)[C@@](C#N)(Cc1ncnn1C(C)C)c1ccccc1 ZINC000091327466 180136026 /nfs/dbraw/zinc/13/60/26/180136026.db2.gz RPAGQAIFBZDIOV-INIZCTEOSA-N 0 0 282.347 2.452 10 30 CEEERN Cc1oc(NC(=O)CS[C@@H](C)CCO)c(C#N)c1C ZINC000091265098 180116550 /nfs/dbraw/zinc/11/65/50/180116550.db2.gz RUFCVNWEVAHADB-QMMMGPOBSA-N 0 0 282.365 2.211 10 30 CEEERN O=C(c1ccncc1C#CCCO)N1CCCCCCC1 ZINC000091458115 180160662 /nfs/dbraw/zinc/16/06/62/180160662.db2.gz UTSUYJCSWJRSIT-UHFFFAOYSA-N 0 0 286.375 2.222 10 30 CEEERN C[C@H]1CCC[C@H](N(C)C(=O)c2ccncc2C#CCO)C1 ZINC000091458429 180160944 /nfs/dbraw/zinc/16/09/44/180160944.db2.gz XLLNDXXBCDFUGO-ZFWWWQNUSA-N 0 0 286.375 2.076 10 30 CEEERN C[C@H]1CCCCC[C@@H]1NC(=O)c1ccncc1C#CCO ZINC000091460511 180161904 /nfs/dbraw/zinc/16/19/04/180161904.db2.gz WQKCLESAKQMONT-BBRMVZONSA-N 0 0 286.375 2.124 10 30 CEEERN CCc1nn(C)c(N(CCC#N)C(C)C)c1[N+](=O)[O-] ZINC000091560814 180191929 /nfs/dbraw/zinc/19/19/29/180191929.db2.gz DAAMSVJPHCPKME-UHFFFAOYSA-N 0 0 265.317 2.019 10 30 CEEERN CCc1nn(C)c(Nc2ccc(F)c(C#N)c2)c1N ZINC000091560905 180192240 /nfs/dbraw/zinc/19/22/40/180192240.db2.gz JTGJPWLZESFBDN-UHFFFAOYSA-N 0 0 259.288 2.319 10 30 CEEERN Cc1ccc(-c2nc(CN3CCNC[C@H]3C#N)cs2)cc1 ZINC000091748770 180245836 /nfs/dbraw/zinc/24/58/36/180245836.db2.gz BGAXTFWGBTXCJR-OAHLLOKOSA-N 0 0 298.415 2.416 10 30 CEEERN N#Cc1cc(Cn2ccc(C(=O)C3CC3)c2)ccn1 ZINC000091828653 180266064 /nfs/dbraw/zinc/26/60/64/180266064.db2.gz XESBRVXQBIEPGH-UHFFFAOYSA-N 0 0 251.289 2.396 10 30 CEEERN N#Cc1ncccc1Cn1ccc(C(=O)C2CC2)c1 ZINC000091828683 180266250 /nfs/dbraw/zinc/26/62/50/180266250.db2.gz FMURYDJCQRTEIR-UHFFFAOYSA-N 0 0 251.289 2.396 10 30 CEEERN O=C(Nc1ccccc1C#CCO)N1CCCCC1 ZINC000091969620 180294999 /nfs/dbraw/zinc/29/49/99/180294999.db2.gz XGNPNATYXHBORM-UHFFFAOYSA-N 0 0 258.321 2.048 10 30 CEEERN N#C[C@]1([C@H](O)[C@@H]2CCOC2)CCCc2ccccc21 ZINC000091883211 180279288 /nfs/dbraw/zinc/27/92/88/180279288.db2.gz FMJLXXAJXAVYMA-FVQBIDKESA-N 0 0 257.333 2.182 10 30 CEEERN N#C[C@@]1([C@@H](O)c2ccncc2)COc2ccccc2C1 ZINC000091880537 180279485 /nfs/dbraw/zinc/27/94/85/180279485.db2.gz WZFCRMFTUAWQSO-JKSUJKDBSA-N 0 0 266.300 2.260 10 30 CEEERN COc1cccc([C@@H](O)C2(C#N)CCOCC2)c1OC ZINC000091881431 180279552 /nfs/dbraw/zinc/27/95/52/180279552.db2.gz ZLRSJXYHZOKDJV-CQSZACIVSA-N 0 0 277.320 2.058 10 30 CEEERN COc1ccc(C[C@@](C)(O)C2(C#N)CCOCC2)cc1 ZINC000091879034 180279649 /nfs/dbraw/zinc/27/96/49/180279649.db2.gz CMLZPTUYZOYQCI-OAHLLOKOSA-N 0 0 275.348 2.309 10 30 CEEERN N#C[C@]1([C@@H](O)[C@@H]2CCCOC2)CCOc2ccccc21 ZINC000091884362 180279848 /nfs/dbraw/zinc/27/98/48/180279848.db2.gz BFJWEQUVJQDVDV-UHOFOFEASA-N 0 0 273.332 2.018 10 30 CEEERN N#C[C@@]1([C@@H](O)c2ccoc2)COc2ccccc2C1 ZINC000091883647 180279947 /nfs/dbraw/zinc/27/99/47/180279947.db2.gz MDSLPODGRNKTJC-LSDHHAIUSA-N 0 0 255.273 2.458 10 30 CEEERN CC[C@@H]1C[C@](O)([C@@]2(C#N)COc3ccccc3C2)CCO1 ZINC000091885314 180280090 /nfs/dbraw/zinc/28/00/90/180280090.db2.gz DARYUDRNRIGFSM-PVAVHDDUSA-N 0 0 287.359 2.452 10 30 CEEERN Cn1cncc1[C@H](O)[C@]1(C#N)CCCc2ccccc21 ZINC000091904339 180282871 /nfs/dbraw/zinc/28/28/71/180282871.db2.gz JGKBXHFADYXCKY-HOTGVXAUSA-N 0 0 267.332 2.251 10 30 CEEERN N#C[C@@]1(C2(O)CCC(=O)CC2)CCc2ccccc21 ZINC000091903801 180282971 /nfs/dbraw/zinc/28/29/71/180282971.db2.gz QMIREYCMEIWVNX-HNNXBMFYSA-N 0 0 255.317 2.268 10 30 CEEERN CCn1cncc1[C@H](O)[C@]1(C#N)CCOc2ccccc21 ZINC000091904355 180283503 /nfs/dbraw/zinc/28/35/03/180283503.db2.gz ZRIDNZQKIBALNK-HOTGVXAUSA-N 0 0 283.331 2.180 10 30 CEEERN O=C(Nc1ccc(C#CCO)c(F)c1)N1CCCCC1 ZINC000091969668 180294923 /nfs/dbraw/zinc/29/49/23/180294923.db2.gz DVTJNOKRSKAHQO-UHFFFAOYSA-N 0 0 276.311 2.187 10 30 CEEERN O=C(Nc1ccccc1C#CCCO)N1CCCCC1 ZINC000091969631 180295246 /nfs/dbraw/zinc/29/52/46/180295246.db2.gz RVXHGLDIWNCFRB-UHFFFAOYSA-N 0 0 272.348 2.438 10 30 CEEERN Cc1ccc(OCc2cccc(C#N)c2)c(CO)n1 ZINC000091998619 180303770 /nfs/dbraw/zinc/30/37/70/180303770.db2.gz QSSBCJGWRMMFQV-UHFFFAOYSA-N 0 0 254.289 2.333 10 30 CEEERN Cc1cc(-n2c(CC#N)nc3ccccc32)ncc1N ZINC000092027835 180309379 /nfs/dbraw/zinc/30/93/79/180309379.db2.gz UIKCTZXBYCAFOY-UHFFFAOYSA-N 0 0 263.304 2.377 10 30 CEEERN C[C@@H]1CN(C(=O)c2sccc2C#CCCO)C[C@H]1C ZINC000092112166 180326230 /nfs/dbraw/zinc/32/62/30/180326230.db2.gz XEGGRFKWLGHOED-VXGBXAGGSA-N 0 0 277.389 2.210 10 30 CEEERN C[C@H]1CN(C(=O)c2ccccc2C#CCCO)C[C@@H]1C ZINC000092112192 180327641 /nfs/dbraw/zinc/32/76/41/180327641.db2.gz UOOYASVWKCLJRQ-KBPBESRZSA-N 0 0 271.360 2.149 10 30 CEEERN Cc1nn(C)c(C)c1CNC[C@H](C#N)c1ccccc1 ZINC000092331184 180364367 /nfs/dbraw/zinc/36/43/67/180364367.db2.gz ZFCWAYVSYDSIMO-HNNXBMFYSA-N 0 0 268.364 2.434 10 30 CEEERN C#CC[N@@H+](CC(=O)[O-])CC12CC3CC(CC(C3)C1)C2 ZINC000092482165 180395255 /nfs/dbraw/zinc/39/52/55/180395255.db2.gz RTYHYHBFTPUWEL-UHFFFAOYSA-N 0 0 261.365 2.223 10 30 CEEERN C=CCNCc1nc(-c2cc(C)c(O)c(C)c2)no1 ZINC000092465078 180391080 /nfs/dbraw/zinc/39/10/80/180391080.db2.gz JOLYUONEWPSIDK-UHFFFAOYSA-N 0 0 259.309 2.335 10 30 CEEERN C#CCNCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000092492184 180396040 /nfs/dbraw/zinc/39/60/40/180396040.db2.gz IBTHCRARGVXVNJ-UHFFFAOYSA-N 0 0 276.339 2.419 10 30 CEEERN N#Cc1ccc(Oc2ccc3c(c2)NC(=O)[C@H]3N)cc1 ZINC000109574855 186264334 /nfs/dbraw/zinc/26/43/34/186264334.db2.gz FVVCSUFJGAAKPZ-AWEZNQCLSA-N 0 0 265.272 2.302 10 30 CEEERN C[C@@H](C#N)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000109445073 186253063 /nfs/dbraw/zinc/25/30/63/186253063.db2.gz ZZMJXAOVMOLUEG-JTQLQIEISA-N 0 0 295.745 2.149 10 30 CEEERN CCC[C@H](C#N)N1CCN(Cc2ccccc2C#N)CC1 ZINC000109456762 186253478 /nfs/dbraw/zinc/25/34/78/186253478.db2.gz RQOMDEMIZPXHTO-QGZVFWFLSA-N 0 0 282.391 2.368 10 30 CEEERN CCCN[C@@](C#N)(CO[C@@H]1CCOC1)c1ccccc1 ZINC000110531211 186301708 /nfs/dbraw/zinc/30/17/08/186301708.db2.gz HUTBGIPEZJTOIU-CVEARBPZSA-N 0 0 274.364 2.211 10 30 CEEERN N#CCCN(C(=O)[C@@H]1COc2ccccc2C1)C1CC1 ZINC000110540039 186302703 /nfs/dbraw/zinc/30/27/03/186302703.db2.gz XDXOBTHLCMGVEB-ZDUSSCGKSA-N 0 0 270.332 2.142 10 30 CEEERN N#Cc1ncccc1COc1cc(F)c(N)cc1F ZINC000110623431 186306356 /nfs/dbraw/zinc/30/63/56/186306356.db2.gz UIIPLHFIDUXVFP-UHFFFAOYSA-N 0 0 261.231 2.393 10 30 CEEERN CCN[C@H](C#N)CCOc1cc(F)c([N+](=O)[O-])cc1F ZINC000110624432 186306933 /nfs/dbraw/zinc/30/69/33/186306933.db2.gz OUDYHTQBURFEGX-QMMMGPOBSA-N 0 0 285.250 2.144 10 30 CEEERN CCOc1cc(N(CCC#N)CCOC)c(N)cc1F ZINC000110634765 186308047 /nfs/dbraw/zinc/30/80/47/186308047.db2.gz IPDKGJWFNASRIJ-UHFFFAOYSA-N 0 0 281.331 2.173 10 30 CEEERN C[C@@H]1CCCN(C[C@@](N)(C#N)c2ccccc2)CC1 ZINC000110808958 186325979 /nfs/dbraw/zinc/32/59/79/186325979.db2.gz KVZHYCREYMGXKH-ZBFHGGJFSA-N 0 0 257.381 2.486 10 30 CEEERN COc1ccc([C@H](C#N)N(C)C)c(Cl)c1OC ZINC000110831295 186328728 /nfs/dbraw/zinc/32/87/28/186328728.db2.gz NHSCMKZAZFQRBD-VIFPVBQESA-N 0 0 254.717 2.483 10 30 CEEERN N#CCc1nc2ccccc2n1CC(=O)N1CCCCC1 ZINC000110950003 186335274 /nfs/dbraw/zinc/33/52/74/186335274.db2.gz RDYCBGZKVKYOLL-UHFFFAOYSA-N 0 0 282.347 2.115 10 30 CEEERN Cc1cc(Cn2c(CC#N)nc3ccccc32)on1 ZINC000110950268 186335661 /nfs/dbraw/zinc/33/56/61/186335661.db2.gz DGABDCACBPTYRL-UHFFFAOYSA-N 0 0 252.277 2.447 10 30 CEEERN C=CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)O ZINC000110964258 186337503 /nfs/dbraw/zinc/33/75/03/186337503.db2.gz MJOAHBBCVCCLCS-NEPJUHHUSA-N 0 0 263.337 2.118 10 30 CEEERN OCC#Cc1cc(F)ccc1CSc1ccncn1 ZINC000111115012 186353808 /nfs/dbraw/zinc/35/38/08/186353808.db2.gz IFMIIKRPKFFPBO-UHFFFAOYSA-N 0 0 274.320 2.252 10 30 CEEERN CCCN(CC(=O)OCC)c1ccc(F)cc1C#N ZINC000111238383 186373346 /nfs/dbraw/zinc/37/33/46/186373346.db2.gz DWCAQQDMRXOCNL-UHFFFAOYSA-N 0 0 264.300 2.477 10 30 CEEERN C[C@@H]1Cc2cc(N)ccc2N1C(=O)c1ccc(C#N)cn1 ZINC000111280607 186388995 /nfs/dbraw/zinc/38/89/95/186388995.db2.gz SKVRHQSADVIRPS-SNVBAGLBSA-N 0 0 278.315 2.127 10 30 CEEERN O=C(NCCc1cccs1)c1sccc1C#CCO 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ZINC000071679085 176243422 /nfs/dbraw/zinc/24/34/22/176243422.db2.gz KPHJSAFFJVLBAT-AWEZNQCLSA-N 0 0 257.337 2.429 10 30 CEEERN N#Cc1ccccc1NC(=O)Cc1ccc2c(c1)CC(=O)N2 ZINC000074961333 176642643 /nfs/dbraw/zinc/64/26/43/176642643.db2.gz YEOOVXKWBPQINI-UHFFFAOYSA-N 0 0 291.310 2.234 10 30 CEEERN N#Cc1ccc(OCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000078002833 177316467 /nfs/dbraw/zinc/31/64/67/177316467.db2.gz KWFZNHJUMIAVKD-GZBFAFLISA-N 0 0 270.332 2.242 10 30 CEEERN C=CCNC(=S)NC(=O)c1cccc(Br)c1 ZINC000078543104 177351872 /nfs/dbraw/zinc/35/18/72/177351872.db2.gz CVDZGTBZFOEMNP-UHFFFAOYSA-N 0 0 299.193 2.239 10 30 CEEERN C[C@@H](CS(C)(=O)=O)Nc1ccc(Cl)cc1C#N ZINC000078638039 177363199 /nfs/dbraw/zinc/36/31/99/177363199.db2.gz OUALNEHGLMUCSX-QMMMGPOBSA-N 0 0 272.757 2.057 10 30 CEEERN N#C[C@@H]1CCCN1C(=O)c1cccc2ncccc21 ZINC000079806516 177562405 /nfs/dbraw/zinc/56/24/05/177562405.db2.gz OBOBQUXIIPFCTP-NSHDSACASA-N 0 0 251.289 2.363 10 30 CEEERN N#C[C@H]1CCCN1C(=O)c1cccc(OC(F)F)c1 ZINC000079805883 177562714 /nfs/dbraw/zinc/56/27/14/177562714.db2.gz YORUEYROXHWABN-SNVBAGLBSA-N 0 0 266.247 2.416 10 30 CEEERN Cc1c(Cl)cnn1Cc1cccc(C#CCO)c1 ZINC000080014444 177595023 /nfs/dbraw/zinc/59/50/23/177595023.db2.gz VYUXUNLTASHQAJ-UHFFFAOYSA-N 0 0 260.724 2.237 10 30 CEEERN CC(C)(C)CS(=O)(=O)Nc1ccc(C#N)cc1 ZINC000080189625 177622021 /nfs/dbraw/zinc/62/20/21/177622021.db2.gz HPPYHWNJYJABPN-UHFFFAOYSA-N 0 0 252.339 2.346 10 30 CEEERN CCc1nn(C)cc1CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000329136732 227320011 /nfs/dbraw/zinc/32/00/11/227320011.db2.gz CYIFEZGTGDDKJV-WDEREUQCSA-N 0 0 277.368 2.444 10 30 CEEERN C[C@H](NC(=O)c1cn([C@H]2CCOC2)nn1)c1cccs1 ZINC000330060666 228029760 /nfs/dbraw/zinc/02/97/60/228029760.db2.gz NASBHPGLLPUMAC-UWVGGRQHSA-N 0 0 292.364 2.367 10 30 CEEERN C[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)N1CCOCC1 ZINC000330197913 228062408 /nfs/dbraw/zinc/06/24/08/228062408.db2.gz SLVKHUVRFWIYEX-KGLIPLIRSA-N 0 0 296.411 2.155 10 30 CEEERN Cc1oc2nc(CN[C@@H]3CCC[C@@H]3C#N)nc(N)c2c1C ZINC000333607832 228206805 /nfs/dbraw/zinc/20/68/05/228206805.db2.gz NPFZUFBYMMLBSJ-GHMZBOCLSA-N 0 0 285.351 2.204 10 30 CEEERN Cc1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)c1F ZINC000313230696 260266440 /nfs/dbraw/zinc/26/64/40/260266440.db2.gz VVVZMLYRPZTFFU-MNOVXSKESA-N 0 0 282.340 2.105 10 30 CEEERN Cn1cc(CN[C@@H]2CCC[C@@H]2C#N)c(C(C)(C)C)n1 ZINC000127899233 260370119 /nfs/dbraw/zinc/37/01/19/260370119.db2.gz LKYVOFCIVLEYLM-DGCLKSJQSA-N 0 0 260.385 2.499 10 30 CEEERN CCc1ccc([C@H](C)NC(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000106328415 260632161 /nfs/dbraw/zinc/63/21/61/260632161.db2.gz VILWDGKKOSQXAR-WFASDCNBSA-N 0 0 287.363 2.244 10 30 CEEERN C[C@H](COCc1ccccc1)NC(=O)C(C)(C)C#N ZINC000172964170 261154805 /nfs/dbraw/zinc/15/48/05/261154805.db2.gz SKIINDAITCJWGF-GFCCVEGCSA-N 0 0 260.337 2.258 10 30 CEEERN C=CC[C@H](CO)Nc1nc(CC)nc(Cl)c1C ZINC000302150271 261349513 /nfs/dbraw/zinc/34/95/13/261349513.db2.gz SYGXFHDTPXXWTL-SECBINFHSA-N 0 0 255.749 2.350 10 30 CEEERN C[C@H](CC#N)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336700135 261730935 /nfs/dbraw/zinc/73/09/35/261730935.db2.gz KGDWRIGWRAQRBN-NXEZZACHSA-N 0 0 250.264 2.068 10 30 CEEERN CC1(C#N)CCN(C(=O)N[C@@H]2COc3ccccc32)CC1 ZINC000272607359 263007681 /nfs/dbraw/zinc/00/76/81/263007681.db2.gz TZIWGGXZSKUOOJ-CYBMUJFWSA-N 0 0 285.347 2.455 10 30 CEEERN C=C[C@H](CC(=O)N[C@H]1CCc2ncnn2C1)c1ccccc1 ZINC000134536302 264514776 /nfs/dbraw/zinc/51/47/76/264514776.db2.gz OSTMVHAAXJFMHK-HIFRSBDPSA-N 0 0 296.374 2.069 10 30 CEEERN CC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000035837752 277929575 /nfs/dbraw/zinc/92/95/75/277929575.db2.gz LSKPUVOBLSUUPE-UHFFFAOYSA-N 0 0 251.326 2.226 10 30 CEEERN C[C@@H]1OC2(O[C@H]1C)c1ccc(Cl)cc1N(CC#N)C2=O ZINC000026463950 278051348 /nfs/dbraw/zinc/05/13/48/278051348.db2.gz OTDBLCDHZIFEQL-IUCAKERBSA-N 0 0 292.722 2.187 10 30 CEEERN CC(C)(C)C1CCC(C(=O)ON2C(=O)CCC2=O)CC1 ZINC000103641496 278300017 /nfs/dbraw/zinc/30/00/17/278300017.db2.gz WLSLVRCAWLZFSR-UHFFFAOYSA-N 0 0 281.352 2.446 10 30 CEEERN Cc1nc(N2CCO[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000292095075 279092310 /nfs/dbraw/zinc/09/23/10/279092310.db2.gz YXDKWLBUEFZFFX-UONOGXRCSA-N 0 0 257.337 2.410 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000329576978 280390795 /nfs/dbraw/zinc/39/07/95/280390795.db2.gz VXRKIPJKCONXQZ-IRCOFANPSA-N 0 0 284.356 2.087 10 30 CEEERN N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000540942218 298272054 /nfs/dbraw/zinc/27/20/54/298272054.db2.gz JGEUWXVPTKJYJV-ZYHUDNBSSA-N 0 0 296.779 2.385 10 30 CEEERN N#CCCS(=O)(=O)N1CCCC12CCCCC2 ZINC000336260119 303154127 /nfs/dbraw/zinc/15/41/27/303154127.db2.gz WLMZMFPUXKFVEH-UHFFFAOYSA-N 0 0 256.371 2.029 10 30 CEEERN CC(C)c1nnc(CN(C)Cc2cccc(C#N)c2)n1C ZINC000195066830 321816174 /nfs/dbraw/zinc/81/61/74/321816174.db2.gz QXXILEWZQONLIR-UHFFFAOYSA-N 0 0 283.379 2.442 10 30 CEEERN CC(C)(CCC#N)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179471362 329208755 /nfs/dbraw/zinc/20/87/55/329208755.db2.gz MSEWLBHMHSVUQD-ZDUSSCGKSA-N 0 0 261.373 2.245 10 30 CEEERN C=CCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000080634675 330145199 /nfs/dbraw/zinc/14/51/99/330145199.db2.gz JVRNDTFMYNDWNJ-GFCCVEGCSA-N 0 0 270.336 2.419 10 30 CEEERN C#C[C@@H](C)OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C ZINC000174418430 332998216 /nfs/dbraw/zinc/99/82/16/332998216.db2.gz MWWUHLRCXZTEEK-MNOVXSKESA-N 0 0 269.341 2.245 10 30 CEEERN C[C@H](OCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000347746594 335403449 /nfs/dbraw/zinc/40/34/49/335403449.db2.gz XINCEFHLELBXAE-QEJZJMRPSA-N 0 0 272.348 2.400 10 30 CEEERN CC(C)N[C@@](C#N)(COCC1CCOCC1)C1CC1 ZINC000069089252 519735607 /nfs/dbraw/zinc/73/56/07/519735607.db2.gz WOOYYUFAGHQRNE-HNNXBMFYSA-N 0 0 266.385 2.100 10 30 CEEERN C#CCC[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000068857654 518253103 /nfs/dbraw/zinc/25/31/03/518253103.db2.gz GSYAMVJURCALKH-NSHDSACASA-N 0 0 250.294 2.159 10 30 CEEERN C#CCN[C@H](C#N)c1cc(Br)ccc1OC ZINC000051963049 518291955 /nfs/dbraw/zinc/29/19/55/518291955.db2.gz BSPMQWCMIQFIIY-LLVKDONJSA-N 0 0 279.137 2.245 10 30 CEEERN C#CCN[C@H](C(=O)OCC)c1ccc2ncccc2c1 ZINC000069503604 518292822 /nfs/dbraw/zinc/29/28/22/518292822.db2.gz HMMRMHWXRHMHMR-HNNXBMFYSA-N 0 0 268.316 2.062 10 30 CEEERN C=CCN[C@H](C(=O)OC)c1ccc2ncccc2c1 ZINC000069503562 518959147 /nfs/dbraw/zinc/95/91/47/518959147.db2.gz BOTWSGNXZOJAQM-AWEZNQCLSA-N 0 0 256.305 2.225 10 30 CEEERN CC(C)c1[nH]nc(C(=O)N(C)c2ccc(C#N)cc2)c1N ZINC000061957639 519830431 /nfs/dbraw/zinc/83/04/31/519830431.db2.gz SZMJQGSCKILZOS-UHFFFAOYSA-N 0 0 283.335 2.264 10 30 CEEERN CCCNC(=O)CN(C)c1c(C#N)cnc2ccccc21 ZINC000049038682 519874526 /nfs/dbraw/zinc/87/45/26/519874526.db2.gz PDCXNRLLQTXTTE-UHFFFAOYSA-N 0 0 282.347 2.069 10 30 CEEERN CCCNc1ccc(C)cc1C(=O)N(CC#N)CC#N ZINC000052999668 520151975 /nfs/dbraw/zinc/15/19/75/520151975.db2.gz BOCONAYNFJLLHG-UHFFFAOYSA-N 0 0 270.336 2.306 10 30 CEEERN CCN[C@H](C#N)CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000062449818 520162599 /nfs/dbraw/zinc/16/25/99/520162599.db2.gz CJBBCLQSFOGHCG-VIFPVBQESA-N 0 0 267.260 2.004 10 30 CEEERN CCN[C@](C#N)(Cn1ncc2ccccc21)C1CC1 ZINC000069084804 520225744 /nfs/dbraw/zinc/22/57/44/520225744.db2.gz UYJMVRIJBJDIHP-OAHLLOKOSA-N 0 0 254.337 2.318 10 30 CEEERN CCN[C@](C)(C#N)CCSc1nnc2ccccn21 ZINC000061407977 520225967 /nfs/dbraw/zinc/22/59/67/520225967.db2.gz YILNFSMAXGINSI-ZDUSSCGKSA-N 0 0 275.381 2.103 10 30 CEEERN CC1(C)CCCN1S(=O)(=O)Cc1ccccc1C#N ZINC000063072230 520336281 /nfs/dbraw/zinc/33/62/81/520336281.db2.gz KFKHRXJOUSFZSY-UHFFFAOYSA-N 0 0 278.377 2.262 10 30 CEEERN CC1(C)Cc2cccc(OC[C@@](N)(C#N)C3CC3)c2O1 ZINC000069086960 520584115 /nfs/dbraw/zinc/58/41/15/520584115.db2.gz JKSWQBMGZQNMQB-INIZCTEOSA-N 0 0 272.348 2.410 10 30 CEEERN CCOC(=O)CN(C)c1cccc(Cl)c1C#N ZINC000052908438 520749286 /nfs/dbraw/zinc/74/92/86/520749286.db2.gz LADLZNMJJYMNFR-UHFFFAOYSA-N 0 0 252.701 2.211 10 30 CEEERN CCOc1cc2c(cc1[C@@H](C#N)NCCOC)O[C@@H](C)C2 ZINC000053256449 520800038 /nfs/dbraw/zinc/80/00/38/520800038.db2.gz SHPONPRQUNQWNB-SMDDNHRTSA-N 0 0 290.363 2.209 10 30 CEEERN CN[C@@](C)(C#N)C[C@@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000068622611 522405267 /nfs/dbraw/zinc/40/52/67/522405267.db2.gz USOULVFBNLXAME-NOZJJQNGSA-N 0 0 281.287 2.393 10 30 CEEERN CC[C@H](NC(=O)[C@@H](CC)/C(N)=N/O)c1ccccc1 ZINC000051629774 522492797 /nfs/dbraw/zinc/49/27/97/522492797.db2.gz YDEUGJOJGLNGTD-RYUDHWBXSA-N 0 0 263.341 2.027 10 30 CEEERN CNc1ccc(COc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000050833608 522612391 /nfs/dbraw/zinc/61/23/91/522612391.db2.gz LVJUDOXZNWZTOO-UHFFFAOYSA-N 0 0 284.275 2.482 10 30 CEEERN CNc1ccnc(C(=O)N(CCC#N)CC(C)C)c1 ZINC000050774849 522665930 /nfs/dbraw/zinc/66/59/30/522665930.db2.gz OPKVRQMEGLIHHJ-UHFFFAOYSA-N 0 0 260.341 2.135 10 30 CEEERN CC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000069401824 523551896 /nfs/dbraw/zinc/55/18/96/523551896.db2.gz FMSKZCWFAGBKQF-HNNXBMFYSA-N 0 0 276.311 2.384 10 30 CEEERN COC(=O)[C@H](C)CN(C)[C@@H](CC#N)c1ccccc1 ZINC000055019786 523863737 /nfs/dbraw/zinc/86/37/37/523863737.db2.gz WAEVXZRWVFZBEV-OCCSQVGLSA-N 0 0 260.337 2.382 10 30 CEEERN CC[C@H](C)N1C(=O)C[C@@H](Nc2ccc(F)c(C#N)c2)C1=O ZINC000051636289 523946667 /nfs/dbraw/zinc/94/66/67/523946667.db2.gz XGEVBKOKKXGZDZ-TVQRCGJNSA-N 0 0 289.310 2.035 10 30 CEEERN COC(=O)[C@H]1CCCN1c1cccc(Cl)c1C#N ZINC000052908355 523954990 /nfs/dbraw/zinc/95/49/90/523954990.db2.gz KMDPGAGGSTVOKP-GFCCVEGCSA-N 0 0 264.712 2.353 10 30 CEEERN CNC(=O)[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000061851088 524111070 /nfs/dbraw/zinc/11/10/70/524111070.db2.gz MFRWSIYYYVWLQU-CYBMUJFWSA-N 0 0 277.755 2.317 10 30 CEEERN COc1ccc(N(C)CC[C@@H](C#N)NC(C)C)cc1 ZINC000062438276 524352509 /nfs/dbraw/zinc/35/25/09/524352509.db2.gz GMHKMHBXRAMOGC-ZDUSSCGKSA-N 0 0 261.369 2.412 10 30 CEEERN COc1ccc(N)cc1CNc1ccnc(C#N)c1 ZINC000061812677 524375917 /nfs/dbraw/zinc/37/59/17/524375917.db2.gz CEAVAYQTSRLPMZ-UHFFFAOYSA-N 0 0 254.293 2.156 10 30 CEEERN Cc1cc(C)n(-c2cc(Cl)ccc2/C(N)=N/O)n1 ZINC000062789572 524477728 /nfs/dbraw/zinc/47/77/28/524477728.db2.gz FZIQZLVGSNMWTF-UHFFFAOYSA-N 0 0 264.716 2.237 10 30 CEEERN C[C@@H]1CC[C@@H](C(N)=O)CN1c1cccc(Cl)c1C#N ZINC000052908903 524570055 /nfs/dbraw/zinc/57/00/55/524570055.db2.gz AEORSPRFKQTQRA-NXEZZACHSA-N 0 0 277.755 2.302 10 30 CEEERN COc1nc(Cl)nc(Oc2cccc(F)c2C#N)n1 ZINC000061514214 524975401 /nfs/dbraw/zinc/97/54/01/524975401.db2.gz FQHNTQGMALHIAT-UHFFFAOYSA-N 0 0 280.646 2.337 10 30 CEEERN COc1ncnc(OC)c1CNc1ccc(F)c(C#N)c1 ZINC000051635845 525083648 /nfs/dbraw/zinc/08/36/48/525083648.db2.gz GAQZQTRNDUTACT-UHFFFAOYSA-N 0 0 288.282 2.117 10 30 CEEERN C[C@](C#N)(CCn1ncc2ccccc21)NC1CC1 ZINC000050527900 525135986 /nfs/dbraw/zinc/13/59/86/525135986.db2.gz KIASZBFHSNKLNC-OAHLLOKOSA-N 0 0 254.337 2.461 10 30 CEEERN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000069401804 525228446 /nfs/dbraw/zinc/22/84/46/525228446.db2.gz GPDNLHDGQRZSLZ-HNNXBMFYSA-N 0 0 276.311 2.384 10 30 CEEERN Cc1ccn(CCCOc2ccccc2C#N)c(=O)c1 ZINC000061909257 525601577 /nfs/dbraw/zinc/60/15/77/525601577.db2.gz PMMVRCZRMCAMLD-UHFFFAOYSA-N 0 0 268.316 2.498 10 30 CEEERN C[C@H](Nc1ccc(F)c(C#N)c1)C(=O)NC(C)(C)C ZINC000051636843 525653809 /nfs/dbraw/zinc/65/38/09/525653809.db2.gz RWFZQSXYIZRQON-VIFPVBQESA-N 0 0 263.316 2.412 10 30 CEEERN C[C@@H](OCC1CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000052154198 525901895 /nfs/dbraw/zinc/90/18/95/525901895.db2.gz YNHNYROPDXNYRT-GFCCVEGCSA-N 0 0 288.347 2.328 10 30 CEEERN Cc1ccc(C#N)cc1Nc1ccc(N)cc1C(N)=O ZINC000050436732 526008647 /nfs/dbraw/zinc/00/86/47/526008647.db2.gz VGKMLINVCLLRBN-UHFFFAOYSA-N 0 0 266.304 2.291 10 30 CEEERN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(N)cc1 ZINC000050428831 526009308 /nfs/dbraw/zinc/00/93/08/526009308.db2.gz FMIWJADBKIIRCL-UHFFFAOYSA-N 0 0 287.344 2.250 10 30 CEEERN C[C@H](C(=O)NC1CCCC1)N(C)c1ccc(C#N)cc1 ZINC000061955630 526028306 /nfs/dbraw/zinc/02/83/06/526028306.db2.gz GSBMOZBVULSETJ-GFCCVEGCSA-N 0 0 271.364 2.442 10 30 CEEERN Cc1csc(CNC(=O)[C@@H](C#N)c2ccccc2)n1 ZINC000061615008 526353616 /nfs/dbraw/zinc/35/36/16/526353616.db2.gz MCFLOXZBHDMNGX-LBPRGKRZSA-N 0 0 271.345 2.375 10 30 CEEERN N#C[C@@](N)(COc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000069089134 526502701 /nfs/dbraw/zinc/50/27/01/526502701.db2.gz HEPLMUSSJQGYKP-GFCCVEGCSA-N 0 0 281.699 2.258 10 30 CEEERN N#Cc1cc(CN2C(=O)C(=O)c3ccc(Cl)cc32)ccn1 ZINC000068756070 526548242 /nfs/dbraw/zinc/54/82/42/526548242.db2.gz MKGITEKJCMLYDO-UHFFFAOYSA-N 0 0 297.701 2.336 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H](C)CN1CCCC1=O ZINC000329259132 527804669 /nfs/dbraw/zinc/80/46/69/527804669.db2.gz YNPOEWJUKOKTDO-OUCADQQQSA-N 0 0 282.384 2.015 10 30 CEEERN COC(=O)[C@H]1O[C@@]1(C)c1ccc(F)cc1Br ZINC000234574301 570237836 /nfs/dbraw/zinc/23/78/36/570237836.db2.gz ZYCDHHSPUSAIOR-KOLCDFICSA-N 0 0 289.100 2.375 10 30 CEEERN CCC(CC)Cn1cc(COS(C)(=O)=O)c(C)n1 ZINC000757196463 622968541 /nfs/dbraw/zinc/96/85/41/622968541.db2.gz UVPKWHWTDCTTMQ-UHFFFAOYSA-N 0 0 274.386 2.104 10 30 CEEERN CC[C@H](NC(=O)c1cccc(C#CCO)c1)C(C)C ZINC000049148474 624522940 /nfs/dbraw/zinc/52/29/40/624522940.db2.gz VGXNGDABUOQSSX-HNNXBMFYSA-N 0 0 259.349 2.195 10 30 CEEERN C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3n2C)O1 ZINC000248293245 624891999 /nfs/dbraw/zinc/89/19/99/624891999.db2.gz XIBYFWLDAJFTEH-UHIISALHSA-N 0 0 283.331 2.317 10 30 CEEERN C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCc3nccn3C2)C1 ZINC000329894625 628376039 /nfs/dbraw/zinc/37/60/39/628376039.db2.gz KBMSPARJGQZKNJ-AGIUHOORSA-N 0 0 276.384 2.138 10 30 CEEERN N#CC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000142756347 630047119 /nfs/dbraw/zinc/04/71/19/630047119.db2.gz KCNPKWNQFXILNH-DHZHZOJOSA-N 0 0 276.361 2.223 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC000900944840 633897481 /nfs/dbraw/zinc/89/74/81/633897481.db2.gz JLLOBCHVZIFXLZ-RDBSUJKOSA-N 0 0 299.399 2.357 10 30 CEEERN C#CCN(C(=O)N[C@H](C)[C@H]1CCCO1)C1CCCC1 ZINC000163628199 639059948 /nfs/dbraw/zinc/05/99/48/639059948.db2.gz QQQDSANLTLHZJP-TZMCWYRMSA-N 0 0 264.369 2.141 10 30 CEEERN C=CCS(=O)(=O)N1CCCc2cc(C)ccc21 ZINC000223424163 639422895 /nfs/dbraw/zinc/42/28/95/639422895.db2.gz YQMUYFDNNVFDRH-UHFFFAOYSA-N 0 0 251.351 2.263 10 30 CEEERN C#CCOCCC(=O)O[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000166643595 639476273 /nfs/dbraw/zinc/47/62/73/639476273.db2.gz IOZUFUDPNYYIPX-KGLIPLIRSA-N 0 0 280.364 2.307 10 30 CEEERN C=C(Br)CNC(=O)N[C@H]1COc2ccccc21 ZINC000171198742 639706102 /nfs/dbraw/zinc/70/61/02/639706102.db2.gz XJFFNUZEKNZHPX-JTQLQIEISA-N 0 0 297.152 2.328 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccnc1Br ZINC000229625244 639711821 /nfs/dbraw/zinc/71/18/21/639711821.db2.gz BUVXNSPOPAKGBD-PSASIEDQSA-N 0 0 294.152 2.266 10 30 CEEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1C#N ZINC000087824236 639760202 /nfs/dbraw/zinc/76/02/02/639760202.db2.gz YBTAYDSUTSCHIA-OCCSQVGLSA-N 0 0 255.321 2.349 10 30 CEEERN COC1CC(Nc2nc3c(cc2C#N)CCCC3)C1 ZINC000230597524 639771855 /nfs/dbraw/zinc/77/18/55/639771855.db2.gz HMUVVXXAGNGHHD-UHFFFAOYSA-N 0 0 257.337 2.421 10 30 CEEERN CCCCCCCCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104797474 640068461 /nfs/dbraw/zinc/06/84/61/640068461.db2.gz ABXAIXQSQBGVLT-HNNXBMFYSA-N 0 0 299.459 2.367 10 30 CEEERN CCCCCCC[C@@H](C)CNC(=O)[C@@H]1COCCN1 ZINC000152594096 640281612 /nfs/dbraw/zinc/28/16/12/640281612.db2.gz WFXKRZMOFJEPEN-KGLIPLIRSA-N 0 0 270.417 2.088 10 30 CEEERN N#Cc1ccc(N2CC[C@H](CCO)C2)c(Cl)c1 ZINC000123310866 642738855 /nfs/dbraw/zinc/73/88/55/642738855.db2.gz QBXYMDDYVDLLKN-SNVBAGLBSA-N 0 0 250.729 2.420 10 30 CEEERN C#Cc1cccc(N(C)C(=O)[C@@H](C)NC(=O)c2ccco2)c1 ZINC000103102846 643955601 /nfs/dbraw/zinc/95/56/01/643955601.db2.gz MUTFHHDITTUWIK-GFCCVEGCSA-N 0 0 296.326 2.042 10 30 CEEERN C#CCOc1ccccc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000124627434 649719575 /nfs/dbraw/zinc/71/95/75/649719575.db2.gz AQYJIEKSUNDEOR-FZMZJTMJSA-N 0 0 260.289 2.172 10 30 CEEERN O=C(C#Cc1ccccc1)NC(=O)Cc1ccccc1F ZINC000095836072 185029620 /nfs/dbraw/zinc/02/96/20/185029620.db2.gz NDBQZKPCIAVAFN-UHFFFAOYSA-N 0 0 281.286 2.063 10 30 CEEERN C=CCCS(=O)(=O)N1C[C@H](C)Oc2ccc(C)cc21 ZINC000121228467 365537031 /nfs/dbraw/zinc/53/70/31/365537031.db2.gz GTWVNMMCHFJNTP-LBPRGKRZSA-N 0 0 281.377 2.488 10 30 CEEERN C#CCn1c2ccccc2c(=O)c2ccccc2c1=O ZINC000034384143 361788910 /nfs/dbraw/zinc/78/89/10/361788910.db2.gz GAJVSNAIHKIXOK-UHFFFAOYSA-N 0 0 261.280 2.148 10 30 CEEERN N#Cc1nc(Br)n(Cc2ccccc2)c1C#N ZINC000034447609 361790349 /nfs/dbraw/zinc/79/03/49/361790349.db2.gz SDKKKUUWKVHCRS-UHFFFAOYSA-N 0 0 287.120 2.437 10 30 CEEERN O=CCCc1ccccc1I ZINC000034515361 361791660 /nfs/dbraw/zinc/79/16/60/361791660.db2.gz OUTNNQAXOVKJAH-UHFFFAOYSA-N 0 0 260.074 2.423 10 30 CEEERN Cc1cccc(S(=O)(=O)Nc2ccc(C#N)cc2N)c1 ZINC000096601531 185108091 /nfs/dbraw/zinc/10/80/91/185108091.db2.gz RHBALCJHLFREJM-UHFFFAOYSA-N 0 0 287.344 2.250 10 30 CEEERN C=CCN(C(C)=O)[C@@H](C)C(=O)Nc1ccc(F)cc1 ZINC000096775276 185112475 /nfs/dbraw/zinc/11/24/75/185112475.db2.gz SEKIQWRYBXTZFD-JTQLQIEISA-N 0 0 264.300 2.187 10 30 CEEERN C=CCN(CCC)S(=O)(=O)c1ccccc1F ZINC000096873007 185119207 /nfs/dbraw/zinc/11/92/07/185119207.db2.gz AWXIXHVFHCJEQZ-UHFFFAOYSA-N 0 0 257.330 2.412 10 30 CEEERN C#CCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000042390007 362090271 /nfs/dbraw/zinc/09/02/71/362090271.db2.gz LCPQVWZSYMYENF-UHFFFAOYSA-N 0 0 256.055 2.369 10 30 CEEERN CS(=O)(=O)OC1CC(Sc2ccccc2)C1 ZINC000675051866 539314688 /nfs/dbraw/zinc/31/46/88/539314688.db2.gz JMSGLCMLAGAKJL-UHFFFAOYSA-N 0 0 258.364 2.286 10 30 CEEERN N#Cc1cccc(N2CCC(Cn3cccn3)CC2)n1 ZINC000134213595 136391230 /nfs/dbraw/zinc/39/12/30/136391230.db2.gz GQNYXCUMMRMSHH-UHFFFAOYSA-N 0 0 267.336 2.066 10 30 CEEERN O=C[C@H]1CCCN(c2ncccc2Br)C1 ZINC000054268558 343586804 /nfs/dbraw/zinc/58/68/04/343586804.db2.gz DQOVXBWDLNHYTH-VIFPVBQESA-N 0 0 269.142 2.259 10 30 CEEERN C=CCNC(=O)c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)nc1 ZINC000078371845 343949961 /nfs/dbraw/zinc/94/99/61/343949961.db2.gz DDJZCTPEDINBIM-GJZGRUSLSA-N 0 0 283.375 2.400 10 30 CEEERN Cc1nc(C[C@H]2CCCN(c3ccc(C)c(C#N)n3)C2)no1 ZINC000302676760 136458121 /nfs/dbraw/zinc/45/81/21/136458121.db2.gz UTVQPTSFQZKAHC-CYBMUJFWSA-N 0 0 297.362 2.412 10 30 CEEERN N#Cc1nccc2[nH]c(I)cc21 ZINC000095920140 344237762 /nfs/dbraw/zinc/23/77/62/344237762.db2.gz GQUONNMGYVOADG-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN N#CCC1(Cn2cccc(Br)c2=O)CC1 ZINC000097910617 344246453 /nfs/dbraw/zinc/24/64/53/344246453.db2.gz QDUIWRQZLDMEGD-UHFFFAOYSA-N 0 0 267.126 2.305 10 30 CEEERN Cc1nc(Cl)n(Cc2ccccc2C#N)c(=O)c1C ZINC000137311492 344388007 /nfs/dbraw/zinc/38/80/07/344388007.db2.gz IELSUTJFGZVQCJ-UHFFFAOYSA-N 0 0 273.723 2.434 10 30 CEEERN C=CS(=O)(=O)c1cccc(Br)c1C#N ZINC000165067911 344473262 /nfs/dbraw/zinc/47/32/62/344473262.db2.gz KJPFDDOCMOWRNN-UHFFFAOYSA-N 0 0 272.123 2.238 10 30 CEEERN C[C@](O)(CC=O)c1ccc(I)cc1 ZINC000235722092 344592070 /nfs/dbraw/zinc/59/20/70/344592070.db2.gz GXJYTJJTHBCNPI-JTQLQIEISA-N 0 0 290.100 2.088 10 30 CEEERN O=C(C#CBr)NCc1ccccc1Cl ZINC000307343244 344721968 /nfs/dbraw/zinc/72/19/68/344721968.db2.gz LJULDGXSCHVVSO-UHFFFAOYSA-N 0 0 272.529 2.312 10 30 CEEERN COC(=O)c1cc(Br)cc(C)c1C#N ZINC000307628063 344724046 /nfs/dbraw/zinc/72/40/46/344724046.db2.gz SIUNPHDXWSLNDY-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN CC(C)C[C@H]1CCN(C(=O)C#CBr)C1 ZINC000306233356 344712624 /nfs/dbraw/zinc/71/26/24/344712624.db2.gz IYWXVRLRGFMJNU-SNVBAGLBSA-N 0 0 258.159 2.237 10 30 CEEERN CCS[C@@H]1CC[C@H](NC(=O)C#CBr)C1 ZINC000306699057 344716675 /nfs/dbraw/zinc/71/66/75/344716675.db2.gz DYSBHXHGAOTTIU-DTWKUNHWSA-N 0 0 276.199 2.133 10 30 CEEERN COC(=O)c1c(F)c(Br)ccc1C#N ZINC000306726485 344716802 /nfs/dbraw/zinc/71/68/02/344716802.db2.gz ZKUNNGRNSFLMMA-UHFFFAOYSA-N 0 0 258.046 2.246 10 30 CEEERN Cc1ccc(C#CCO)cc1N1C(=O)c2ccccc2C1=O ZINC000306957176 344718925 /nfs/dbraw/zinc/71/89/25/344718925.db2.gz SSAYJXDJZLDSJE-UHFFFAOYSA-N 0 0 291.306 2.139 10 30 CEEERN Cc1noc(C)c1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328641441 344757515 /nfs/dbraw/zinc/75/75/15/344757515.db2.gz XWMKDCMARIDPNN-LLVKDONJSA-N 0 0 274.324 2.055 10 30 CEEERN CCn1cnnc1[C@H]1CN(CCCC(C)(C)C#N)CCO1 ZINC000328631707 344756135 /nfs/dbraw/zinc/75/61/35/344756135.db2.gz KTPROHMIRRFTMO-CYBMUJFWSA-N 0 0 291.399 2.001 10 30 CEEERN Cn1cc(Br)c(CN[C@H]2CCCC[C@H]2C#N)n1 ZINC000393366720 344839851 /nfs/dbraw/zinc/83/98/51/344839851.db2.gz FYDONGBHBZRMQE-ONGXEEELSA-N 0 0 297.200 2.355 10 30 CEEERN CCO[C@]1(C(=O)Nc2ccc(C#N)c(Cl)c2)CCOC1 ZINC000401757583 344869614 /nfs/dbraw/zinc/86/96/14/344869614.db2.gz UMDQTLADDQBRQP-CQSZACIVSA-N 0 0 294.738 2.346 10 30 CEEERN COC(=O)/C(=N/C(=O)c1ccc(F)cc1)C(F)(F)F ZINC000584606787 344964153 /nfs/dbraw/zinc/96/41/53/344964153.db2.gz URJBABKVUIOJID-PXNMLYILSA-N 0 0 277.173 2.142 10 30 CEEERN CC(C)(C)OC(=O)N1CCc2cc(/C=N/NO)ccc2C1 ZINC000584653229 344973647 /nfs/dbraw/zinc/97/36/47/344973647.db2.gz WSWKJWJIFSAZBY-CXUHLZMHSA-N 0 0 291.351 2.293 10 30 CEEERN N#Cc1ncccc1CS(=O)(=O)CC1CCCC1 ZINC000084255300 178832671 /nfs/dbraw/zinc/83/26/71/178832671.db2.gz CMJFSUASSPNDLB-UHFFFAOYSA-N 0 0 264.350 2.058 10 30 CEEERN CC(C)[S@](=O)CCCOc1cccc(C#N)c1 ZINC000084266419 178834433 /nfs/dbraw/zinc/83/44/33/178834433.db2.gz XUQCGBINOCEDAS-KRWDZBQOSA-N 0 0 251.351 2.484 10 30 CEEERN CC1(NC(=O)c2ccccc2C#CCCO)CCCC1 ZINC000084236608 178829678 /nfs/dbraw/zinc/82/96/78/178829678.db2.gz CIJONEOJGULESJ-UHFFFAOYSA-N 0 0 271.360 2.483 10 30 CEEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000592099936 345321947 /nfs/dbraw/zinc/32/19/47/345321947.db2.gz ITKSBNOJZNWJKG-JMJZKYOTSA-N 0 0 282.390 2.087 10 30 CEEERN C=CCCC[C@@H](Cc1ccc(OC)c(OC)c1)NN ZINC000097502977 185617648 /nfs/dbraw/zinc/61/76/48/185617648.db2.gz RRQMDWXFYUVCCU-ZDUSSCGKSA-N 0 0 264.369 2.435 10 30 CEEERN CN1C[C@H](CNc2cc(Cl)ccc2C#N)CC1=O ZINC000596492975 346038295 /nfs/dbraw/zinc/03/82/95/346038295.db2.gz XHDGNVJGHMTQOP-VIFPVBQESA-N 0 0 263.728 2.102 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000061888752 362694720 /nfs/dbraw/zinc/69/47/20/362694720.db2.gz TZIVATKCQXNDJW-DOMZBBRYSA-N 0 0 280.331 2.294 10 30 CEEERN CN(C)c1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000061888373 362694941 /nfs/dbraw/zinc/69/49/41/362694941.db2.gz QMAUVUBULAFYSK-GXTWGEPZSA-N 0 0 257.337 2.175 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1O ZINC000061888712 362695003 /nfs/dbraw/zinc/69/50/03/362695003.db2.gz RRNSKPHTBSZQAB-KCJUWKMLSA-N 0 0 264.712 2.468 10 30 CEEERN COc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)ccc1C ZINC000061889052 362696086 /nfs/dbraw/zinc/69/60/86/362696086.db2.gz VRWIIYLGZMCFTL-OLZOCXBDSA-N 0 0 258.321 2.426 10 30 CEEERN COc1cc(CN[C@@H]2CCC[C@@H]2C#N)cc2c1OCCO2 ZINC000061892542 362696770 /nfs/dbraw/zinc/69/67/70/362696770.db2.gz ZBDMHBWAGRNJMU-CHWSQXEVSA-N 0 0 288.347 2.248 10 30 CEEERN N#C[C@H]1CCC[C@H]1NCc1cccc2c1OCCO2 ZINC000061891902 362697396 /nfs/dbraw/zinc/69/73/96/362697396.db2.gz UMFLIJPEVRCJIA-DGCLKSJQSA-N 0 0 258.321 2.240 10 30 CEEERN C[C@@H](C#N)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000112765891 136566598 /nfs/dbraw/zinc/56/65/98/136566598.db2.gz RBYGTOVLBJHWES-JTQLQIEISA-N 0 0 284.285 2.134 10 30 CEEERN Cc1nc(C[C@H]2CCCN(c3nc(C)ccc3C#N)C2)no1 ZINC000180232665 136572041 /nfs/dbraw/zinc/57/20/41/136572041.db2.gz FWIIQHGFMYCSFX-CYBMUJFWSA-N 0 0 297.362 2.412 10 30 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Cc1ccc(OC[C@@](C)(C#N)NC2CC2)c([N+](=O)[O-])c1 ZINC000045215209 175329696 /nfs/dbraw/zinc/32/96/96/175329696.db2.gz IRZHQNAYMDWNHP-CQSZACIVSA-N 0 0 275.308 2.316 10 30 CEEERN CC(C)OCCOCCC[C@@](C)(C#N)NC1CC1 ZINC000045326249 175359628 /nfs/dbraw/zinc/35/96/28/175359628.db2.gz FDLVCDSSTPUBMK-AWEZNQCLSA-N 0 0 254.374 2.242 10 30 CEEERN Cc1ccc([N+](=O)[O-])cc1OC[C@H](C#N)NC(C)C ZINC000045331507 175360064 /nfs/dbraw/zinc/36/00/64/175360064.db2.gz ABTQSVDYOQXJQZ-NSHDSACASA-N 0 0 263.297 2.172 10 30 CEEERN CN[C@@](C)(C#N)CCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000045331397 175360090 /nfs/dbraw/zinc/36/00/90/175360090.db2.gz LUCJSESFUHHWNZ-CQSZACIVSA-N 0 0 293.323 2.264 10 30 CEEERN N#C[C@H](N)CSc1ccc(Br)cc1 ZINC000045333063 175360979 /nfs/dbraw/zinc/36/09/79/175360979.db2.gz IKGFUGHVZHQEMI-QMMMGPOBSA-N 0 0 257.156 2.392 10 30 CEEERN C[C@@H]1CN(Cc2sccc2C#CCO)CC(C)(C)O1 ZINC000045707248 175382623 /nfs/dbraw/zinc/38/26/23/175382623.db2.gz CAUNTQNZBXOVNN-GFCCVEGCSA-N 0 0 279.405 2.091 10 30 CEEERN 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CS(=O)(=O)OCCc1c[nH]c2ccc(Cl)cc12 ZINC000035275090 343422119 /nfs/dbraw/zinc/42/21/19/343422119.db2.gz BEJJZIJHEGHFPR-UHFFFAOYSA-N 0 0 273.741 2.340 10 30 CEEERN C=CC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)OCC ZINC000036914695 343424408 /nfs/dbraw/zinc/42/44/08/343424408.db2.gz LKNUZALGJAHALH-CYBMUJFWSA-N 0 0 257.330 2.409 10 30 CEEERN CCOC(=O)C(=O)Nc1ncc(Br)s1 ZINC000037714183 343430462 /nfs/dbraw/zinc/43/04/62/343430462.db2.gz POIAXKWZCZDEJZ-UHFFFAOYSA-N 0 0 279.115 2.057 10 30 CEEERN O=C(NO)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000136884844 295702705 /nfs/dbraw/zinc/70/27/05/295702705.db2.gz ASHIUNGEDIJROU-UHFFFAOYSA-N 0 0 251.025 2.021 10 30 CEEERN O=C[C@@H]1CCCCN1c1ccc(Br)cn1 ZINC000054268160 343587025 /nfs/dbraw/zinc/58/70/25/343587025.db2.gz NTKUAECCTGKLJQ-JTQLQIEISA-N 0 0 269.142 2.402 10 30 CEEERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000048497253 362279689 /nfs/dbraw/zinc/27/96/89/362279689.db2.gz BICANGDNDZIYCR-SECBINFHSA-N 0 0 293.754 2.311 10 30 CEEERN 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O=CC[C@]1(O)CCc2cc(Br)ccc2C1 ZINC000159360740 344454433 /nfs/dbraw/zinc/45/44/33/344454433.db2.gz GBSMWUDZKQQVPF-GFCCVEGCSA-N 0 0 269.138 2.258 10 30 CEEERN C=CC[C@H](C)Nc1nc(N)cc(Br)n1 ZINC000161662929 344464680 /nfs/dbraw/zinc/46/46/80/344464680.db2.gz BBRABBPJKVDWIV-LURJTMIESA-N 0 0 257.135 2.198 10 30 CEEERN O=CC1(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000169279887 344481294 /nfs/dbraw/zinc/48/12/94/344481294.db2.gz TZHZMDIRRYFPEP-UHFFFAOYSA-N 0 0 260.314 2.345 10 30 CEEERN C=CCOC[C@H](CC=C)c1c([N+](=O)[O-])cnn1C ZINC000216878398 344535199 /nfs/dbraw/zinc/53/51/99/344535199.db2.gz JKWGQXKKILSLJO-JTQLQIEISA-N 0 0 251.286 2.191 10 30 CEEERN COc1cc(Br)cc(N(O)C(C)=O)c1 ZINC000218526663 344536869 /nfs/dbraw/zinc/53/68/69/344536869.db2.gz IALNTYMMRIJQFD-UHFFFAOYSA-N 0 0 260.087 2.200 10 30 CEEERN C=CCOc1ccc(Br)cc1/C=[N+](\C)[O-] ZINC000225440923 344546199 /nfs/dbraw/zinc/54/61/99/344546199.db2.gz VIWAGDBTBZOWDI-MDWZMJQESA-N 0 0 271.134 2.464 10 30 CEEERN C#CCC(=O)Nc1ccccc1I ZINC000236200273 344594555 /nfs/dbraw/zinc/59/45/55/344594555.db2.gz UARNZCVTOVBFEL-UHFFFAOYSA-N 0 0 285.084 2.253 10 30 CEEERN C#CCC(=O)NCc1cc(Br)cs1 ZINC000232485049 344578093 /nfs/dbraw/zinc/57/80/93/344578093.db2.gz SJCBBSXPSHUBHT-UHFFFAOYSA-N 0 0 258.140 2.150 10 30 CEEERN CCOC(=O)Cc1ccc(Br)c(C#N)c1 ZINC000238258768 344606099 /nfs/dbraw/zinc/60/60/99/344606099.db2.gz RFPRMXXXGLOHCY-UHFFFAOYSA-N 0 0 268.110 2.426 10 30 CEEERN COC(=O)Cc1cc(C#N)ccc1Br ZINC000238384260 344606658 /nfs/dbraw/zinc/60/66/58/344606658.db2.gz NYPJWAPRCOANQC-UHFFFAOYSA-N 0 0 254.083 2.036 10 30 CEEERN CC(=O)[C@](C)(C#N)c1ncccc1Br ZINC000307463047 344722692 /nfs/dbraw/zinc/72/26/92/344722692.db2.gz GLWOVHXTJVJCDP-JTQLQIEISA-N 0 0 253.099 2.214 10 30 CEEERN Cc1cccc(C(=O)N(C)O)c1I ZINC000306593337 344715357 /nfs/dbraw/zinc/71/53/57/344715357.db2.gz WYIIGUQWIGZUOP-UHFFFAOYSA-N 0 0 291.088 2.061 10 30 CEEERN CCc1onc(C)c1C(=O)NC[C@H]1CCn2ccnc2C1 ZINC000328641844 344758243 /nfs/dbraw/zinc/75/82/43/344758243.db2.gz 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CEEERN CCN[C@](C)(C#N)CN1CCN(c2cccc(C)c2)CC1 ZINC000045174743 134913556 /nfs/dbraw/zinc/91/35/56/134913556.db2.gz RVEYYSHCZFFJLP-QGZVFWFLSA-N 0 0 286.423 2.009 10 30 CEEERN N#C[C@H]1CN(c2ccc(N)c(C(F)(F)F)c2)CCO1 ZINC000093932306 135082626 /nfs/dbraw/zinc/08/26/26/135082626.db2.gz CMPKCUSSYIHZEJ-VIFPVBQESA-N 0 0 271.242 2.016 10 30 CEEERN N#C[C@H]1CN(c2ccc(C(F)(F)F)cc2N)CCO1 ZINC000093932116 135082659 /nfs/dbraw/zinc/08/26/59/135082659.db2.gz PPPNUALFBGGDEH-VIFPVBQESA-N 0 0 271.242 2.016 10 30 CEEERN C#CCOC(=O)c1cc(N)ccc1N1CCCC[C@H]1C ZINC000226278730 394470460 /nfs/dbraw/zinc/47/04/60/394470460.db2.gz GAXXGKKHAVPZBI-GFCCVEGCSA-N 0 0 272.348 2.438 10 30 CEEERN CCc1ccc(OCC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000359669949 394769688 /nfs/dbraw/zinc/76/96/88/394769688.db2.gz FMYFNZURJCGPPK-DZGCQCFKSA-N 0 0 272.348 2.436 10 30 CEEERN C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CCS1 ZINC000126493946 394847047 /nfs/dbraw/zinc/84/70/47/394847047.db2.gz FISOMPFQUPAYFG-LBPRGKRZSA-N 0 0 290.388 2.095 10 30 CEEERN Cc1cc(N2CCN(c3nccs3)CC2)c(C#N)c(C)n1 ZINC000133753077 394954389 /nfs/dbraw/zinc/95/43/89/394954389.db2.gz CXSAQPNFMPSILQ-UHFFFAOYSA-N 0 0 299.403 2.353 10 30 CEEERN C#CCSCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000154764267 395024131 /nfs/dbraw/zinc/02/41/31/395024131.db2.gz FOGKRAKAPDSSMR-GFCCVEGCSA-N 0 0 278.377 2.493 10 30 CEEERN C[C@@H]1OCCC[C@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000190122991 395335109 /nfs/dbraw/zinc/33/51/09/395335109.db2.gz VUAOMSHGLPNARN-SMDDNHRTSA-N 0 0 258.321 2.336 10 30 CEEERN CCOC(=O)Cc1cc(Br)c(C=O)c(C#N)c1 ZINC000575341645 395660206 /nfs/dbraw/zinc/66/02/06/395660206.db2.gz CTIHQMRBBJFRNJ-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN CCOC(=O)c1c(Cl)ccc(C#N)c1[N+](=O)[O-] ZINC000575382816 395662383 /nfs/dbraw/zinc/66/23/83/395662383.db2.gz AZETZGFLUAPWAF-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1cc(Br)cc(C#N)c1OC ZINC000575383009 395662520 /nfs/dbraw/zinc/66/25/20/395662520.db2.gz PMGCNDLPOGYOJY-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN 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N#CCCN(C(=O)c1cc(F)c(F)cc1N)C1CC1 ZINC000050017730 526452528 /nfs/dbraw/zinc/45/25/28/526452528.db2.gz DAAXYKFQEGIYCC-UHFFFAOYSA-N 0 0 265.263 2.065 10 30 CEEERN N#CCN(Cc1ccccc1)C(=O)c1ccc(F)nc1 ZINC000070083824 526470383 /nfs/dbraw/zinc/47/03/83/526470383.db2.gz SVVCTVBEHSSSRK-UHFFFAOYSA-N 0 0 269.279 2.387 10 30 CEEERN N#C[C@@H]1CCCCC[C@@H]1Sc1n[nH]c(=O)n1C1CC1 ZINC000061595406 526499873 /nfs/dbraw/zinc/49/98/73/526499873.db2.gz SSSHNNKTSCRGOW-ONGXEEELSA-N 0 0 278.381 2.471 10 30 CEEERN N#C[C@@](Cn1ncc2ccccc21)(NC1CC1)C1CC1 ZINC000069084787 526503035 /nfs/dbraw/zinc/50/30/35/526503035.db2.gz ALRBHSWDBLOHFS-INIZCTEOSA-N 0 0 266.348 2.461 10 30 CEEERN N#Cc1ccc(N(CCO)Cc2ccccc2)c(N)c1 ZINC000050515634 526641548 /nfs/dbraw/zinc/64/15/48/526641548.db2.gz QBPSUXPHSPXQNY-UHFFFAOYSA-N 0 0 267.332 2.139 10 30 CEEERN N#Cc1ncccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000061664544 526789842 /nfs/dbraw/zinc/78/98/42/526789842.db2.gz ALFAGKMXSAYIED-GJZGRUSLSA-N 0 0 257.337 2.097 10 30 CEEERN CC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000334639410 527037594 /nfs/dbraw/zinc/03/75/94/527037594.db2.gz FSAVGVFVODQBCY-GXTWGEPZSA-N 0 0 271.320 2.067 10 30 CEEERN Cn1cccc1C(=O)COc1ccc(CC#N)cc1 ZINC000047820949 527386402 /nfs/dbraw/zinc/38/64/02/527386402.db2.gz OKHPXPGUTZUPSR-UHFFFAOYSA-N 0 0 254.289 2.353 10 30 CEEERN Cn1cncc1-c1nc(CC(=O)NCc2ccccc2)no1 ZINC000328594878 527504249 /nfs/dbraw/zinc/50/42/49/527504249.db2.gz FINXKOFTWWVIIH-UHFFFAOYSA-N 0 0 297.318 2.169 10 30 CEEERN Cc1nn(-c2ccccc2)c(N(C)[C@@H](C)CC#N)c1CO ZINC000063087231 527547740 /nfs/dbraw/zinc/54/77/40/527547740.db2.gz HEQVCTDTFIPEMU-LBPRGKRZSA-N 0 0 284.363 2.411 10 30 CEEERN O/N=C1\CCc2c1cccc2OC[C@H](O)C(F)(F)F ZINC000068880614 527589837 /nfs/dbraw/zinc/58/98/37/527589837.db2.gz ZDVMPPURAHXERM-UJFYRASASA-N 0 0 275.226 2.113 10 30 CEEERN CC/C(Cl)=N\OC(=O)NC[C@@H](O)c1ccccc1 ZINC000097962892 528761307 /nfs/dbraw/zinc/76/13/07/528761307.db2.gz RDSMJHYNRHKRIN-YMQUWAGYSA-N 0 0 270.716 2.409 10 30 CEEERN N#Cc1sc(NC[C@H]2CCC[C@H]2O)nc1Cl ZINC000236531323 625958585 /nfs/dbraw/zinc/95/85/85/625958585.db2.gz MDNGADZUGTWNHT-RNFRBKRXSA-N 0 0 257.746 2.241 10 30 CEEERN C=CCS(=O)(=O)Nc1ccc(-n2ccnc2C)cc1 ZINC000223420573 639423869 /nfs/dbraw/zinc/42/38/69/639423869.db2.gz CZCFYFHCWAQCDT-UHFFFAOYSA-N 0 0 277.349 2.108 10 30 CEEERN COC[C@@H](C)C(=O)OC[C@H](C#N)Cc1cccs1 ZINC000089289239 640276328 /nfs/dbraw/zinc/27/63/28/640276328.db2.gz ZPUMZPNMXHCXSS-MNOVXSKESA-N 0 0 267.350 2.256 10 30 CEEERN N#CCSc1ccccc1C(=O)N1CC[C@H](CCO)C1 ZINC000126911193 650999707 /nfs/dbraw/zinc/99/97/07/650999707.db2.gz NEBAXVBXVBIEBA-GFCCVEGCSA-N 0 0 290.388 2.147 10 30 CEEERN O=C(C#Cc1ccccc1F)NC(=O)Cc1ccccc1 ZINC000095831355 185029874 /nfs/dbraw/zinc/02/98/74/185029874.db2.gz IMJNRIYSALPWPY-UHFFFAOYSA-N 0 0 281.286 2.063 10 30 CEEERN C/C(=N/NC(=S)NCc1ccccc1)c1ccncc1 ZINC000033718132 361783794 /nfs/dbraw/zinc/78/37/94/361783794.db2.gz NIUNLJRJNOFLMT-PDGQHHTCSA-N 0 0 284.388 2.470 10 30 CEEERN CC(=O)Nc1cccc(-c2ccnc3c(C#N)cnn32)c1 ZINC000034063007 361787131 /nfs/dbraw/zinc/78/71/31/361787131.db2.gz HGCZTXQJFDPOKK-UHFFFAOYSA-N 0 0 277.287 2.226 10 30 in-vitro CEEERN CN[C@@](C)(C#N)C[C@@H](C)n1cc(Br)cn1 ZINC000082795277 178300228 /nfs/dbraw/zinc/30/02/28/178300228.db2.gz TWUDLMDIDPNFNJ-PSASIEDQSA-N 0 0 271.162 2.098 10 30 CEEERN N#Cc1cnc(N[C@H](c2nccs2)C2CC2)cn1 ZINC000125639825 187194619 /nfs/dbraw/zinc/19/46/19/187194619.db2.gz JBUMJBYHQMGSEQ-NSHDSACASA-N 0 0 257.322 2.368 10 30 CEEERN C[C@@H](C#N)Oc1ccc(Br)cc1CO ZINC000043517123 362146351 /nfs/dbraw/zinc/14/63/51/362146351.db2.gz NIKISSAUMFYABU-ZETCQYMHSA-N 0 0 256.099 2.232 10 30 CEEERN C[C@@H](C#N)Oc1c(N)cc(F)cc1Br ZINC000043513245 362146972 /nfs/dbraw/zinc/14/69/72/362146972.db2.gz VDWMBZFAVXQXIR-YFKPBYRVSA-N 0 0 259.078 2.461 10 30 CEEERN Cc1ccc(C=Nc2c(N)[nH]c(=S)[nH]c2=O)cc1 ZINC000017106612 343372522 /nfs/dbraw/zinc/37/25/22/343372522.db2.gz NKBWWQXQZADHOR-MKMNVTDBSA-N 0 0 260.322 2.112 10 30 CEEERN C=CCN1c2ccc(NC(=O)CCC)cc2OCC1=O ZINC000012098248 136378665 /nfs/dbraw/zinc/37/86/65/136378665.db2.gz LPCITDKCICNDRF-UHFFFAOYSA-N 0 0 274.320 2.337 10 30 CEEERN C=CCN1c2ccc(NC(=O)C3CC3)cc2O[C@@H](C)C1=O ZINC000012119575 136378842 /nfs/dbraw/zinc/37/88/42/136378842.db2.gz SSZPJLIYFDNSLG-JTQLQIEISA-N 0 0 286.331 2.335 10 30 CEEERN N#Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)n1 ZINC000095920150 344237727 /nfs/dbraw/zinc/23/77/27/344237727.db2.gz TWQCKVIOQWUZRD-UHFFFAOYSA-N 0 0 283.312 2.145 10 30 CEEERN N#Cc1nccc2cc(I)[nH]c21 ZINC000095920129 344237753 /nfs/dbraw/zinc/23/77/53/344237753.db2.gz ACMITTLVHISUQI-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN CS(=O)(=O)OCCCCCOCc1ccccc1 ZINC000117963366 344290487 /nfs/dbraw/zinc/29/04/87/344290487.db2.gz JJEIFLUMZNQADP-UHFFFAOYSA-N 0 0 272.366 2.350 10 30 CEEERN C[C@@H](C#N)Oc1cc(F)c(Br)cc1N ZINC000235553540 344591689 /nfs/dbraw/zinc/59/16/89/344591689.db2.gz MQHLLGKUKHOVMX-YFKPBYRVSA-N 0 0 259.078 2.461 10 30 CEEERN C#CC(=O)c1cccc(C)c1I ZINC000235775953 344593057 /nfs/dbraw/zinc/59/30/57/344593057.db2.gz GSSWZXUYYKZFDS-UHFFFAOYSA-N 0 0 270.069 2.416 10 30 CEEERN N#CCc1cc(Br)cc([N+](=O)[O-])c1N ZINC000238659757 344607561 /nfs/dbraw/zinc/60/75/61/344607561.db2.gz BMXNBQBGIFYKMS-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN O=C(C#CBr)Nc1ccc(C2OCCO2)cc1 ZINC000307538367 344723439 /nfs/dbraw/zinc/72/34/39/344723439.db2.gz RVJHCMSBCSCKRL-UHFFFAOYSA-N 0 0 296.120 2.026 10 30 CEEERN COc1cc(I)cc(C#N)c1OC ZINC000307666482 344723917 /nfs/dbraw/zinc/72/39/17/344723917.db2.gz DOALZJWBKLPVSQ-UHFFFAOYSA-N 0 0 289.072 2.180 10 30 CEEERN NC(=S)NN=Cc1ccc(Br)cc1Cl ZINC000308381348 344727634 /nfs/dbraw/zinc/72/76/34/344727634.db2.gz XGHBZLWHXOLGDX-UHFFFAOYSA-N 0 0 292.589 2.270 10 30 CEEERN N#Cc1cc(Br)c([O-])c([C@@H]2CC[NH2+]2)c1 ZINC000306824251 344717839 /nfs/dbraw/zinc/71/78/39/344717839.db2.gz VXHVBKUYJNBUTB-VIFPVBQESA-N 0 0 253.099 2.061 10 30 CEEERN CCCc1n[nH]cc1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000328615994 344755614 /nfs/dbraw/zinc/75/56/14/344755614.db2.gz BHFUEJUXARZFIQ-NSHDSACASA-N 0 0 287.367 2.126 10 30 CEEERN O=C(NC[C@H]1CCn2ccnc2C1)C1(O)CCCCC1 ZINC000328618491 344755676 /nfs/dbraw/zinc/75/56/76/344755676.db2.gz DSXJFBNAABUFFO-LBPRGKRZSA-N 0 0 277.368 2.097 10 30 CEEERN Cc1cc(N[C@@H]2CNc3ccccc3C2)c(C#N)cn1 ZINC000404466427 344880583 /nfs/dbraw/zinc/88/05/83/344880583.db2.gz TUPXNZXQLWLEGT-AWEZNQCLSA-N 0 0 264.332 2.132 10 30 CEEERN N#CCCN(c1nccc(C(F)(F)F)n1)C1CC1 ZINC000083927484 178765293 /nfs/dbraw/zinc/76/52/93/178765293.db2.gz VPDMJAWJXJOQBR-UHFFFAOYSA-N 0 0 256.231 2.378 10 30 CEEERN CCOC(=O)c1ccc(C#C[C@](C)(O)C2(C#N)CC2)cc1 ZINC000584598105 344961800 /nfs/dbraw/zinc/96/18/00/344961800.db2.gz FJXPDRVHEDEIND-INIZCTEOSA-N 0 0 283.327 2.270 10 30 CEEERN Cc1ccc(S(=O)(=O)OC[C@@H]2CC(=O)[C@@H](C)C2)cc1 ZINC000584602828 344963111 /nfs/dbraw/zinc/96/31/11/344963111.db2.gz DCJQGTLSWVWUCY-RYUDHWBXSA-N 0 0 282.361 2.316 10 30 CEEERN COC(=O)/C(=N/C(=O)c1ccccc1)C(F)(F)F ZINC000584606617 344964375 /nfs/dbraw/zinc/96/43/75/344964375.db2.gz AEARDNWRJGFLQS-NVNXTCNLSA-N 0 0 259.183 2.003 10 30 CEEERN CCOC(=O)[C@@](C)(CC#N)c1ccc(Cl)nc1OC ZINC000584633603 344970513 /nfs/dbraw/zinc/97/05/13/344970513.db2.gz VRAXJAOCZUNEPY-ZDUSSCGKSA-N 0 0 282.727 2.478 10 30 CEEERN C=CC[C@](Cc1ccncc1)(C(C)=O)C(=O)OCC ZINC000584637326 344971338 /nfs/dbraw/zinc/97/13/38/344971338.db2.gz QJHKGFUTKFWNLJ-HNNXBMFYSA-N 0 0 261.321 2.339 10 30 CEEERN S=C(NC[C@@H]1CCCO1)N/N=C/C=C\c1ccccc1 ZINC000056673527 362562234 /nfs/dbraw/zinc/56/22/34/362562234.db2.gz LAFUAZKEIYBTCD-KMPWHHKJSA-N 0 0 289.404 2.329 10 30 CEEERN CC(C)C[S@](=O)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000084264547 178834666 /nfs/dbraw/zinc/83/46/66/178834666.db2.gz ONAZZTPNLYHHQW-NSPYISDASA-N 0 0 278.377 2.290 10 30 CEEERN CC(C)[S@@](=O)CCCC(=O)Nc1ccc(C#N)cc1 ZINC000084266308 178834430 /nfs/dbraw/zinc/83/44/30/178834430.db2.gz RPDAAGJMHPMOKJ-LJQANCHMSA-N 0 0 278.377 2.434 10 30 CEEERN CN[C@](C)(C#N)C[C@H](C)Oc1cccc(COC)c1 ZINC000084307188 178853375 /nfs/dbraw/zinc/85/33/75/178853375.db2.gz GNMXGRJBNOWSGF-WFASDCNBSA-N 0 0 262.353 2.492 10 30 CEEERN C=CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](C(F)(F)F)C1 ZINC000085130878 178953911 /nfs/dbraw/zinc/95/39/11/178953911.db2.gz CTHIMAXDJDLQOH-SCZZXKLOSA-N 0 0 251.248 2.338 10 30 CEEERN N#C[C@H]1CN(c2cc(Cl)c(Cl)cc2N)CCO1 ZINC000095023712 136515245 /nfs/dbraw/zinc/51/52/45/136515245.db2.gz VPFVJAROYYRXNT-ZETCQYMHSA-N 0 0 272.135 2.304 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000061888690 362695336 /nfs/dbraw/zinc/69/53/36/362695336.db2.gz CCSMCDPUOYJSNK-UFBFGSQYSA-N 0 0 250.248 2.387 10 30 CEEERN COc1ccc(CC(=O)N[C@H]2CCC[C@H]2C#N)cc1OC ZINC000061889086 362696135 /nfs/dbraw/zinc/69/61/35/362696135.db2.gz UZCWJTSHZCUDLJ-STQMWFEESA-N 0 0 288.347 2.055 10 30 CEEERN C=CCN1C(=O)[C@H](C(C)(C)C)NC(=O)C1(CC)CC ZINC000085745154 179138952 /nfs/dbraw/zinc/13/89/52/179138952.db2.gz VLCOJWBBEFMKEN-LLVKDONJSA-N 0 0 266.385 2.104 10 30 CEEERN C=CCN1C(=O)[C@@H](c2ccccc2)NC(=O)[C@H]1CC(C)C ZINC000085759066 179151538 /nfs/dbraw/zinc/15/15/38/179151538.db2.gz KKJZTJASQRCCGT-HUUCEWRRSA-N 0 0 286.375 2.287 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000064070208 362779695 /nfs/dbraw/zinc/77/96/95/362779695.db2.gz HFYDZDGBCQQNHN-NSHDSACASA-N 0 0 297.314 2.217 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000128480307 187373694 /nfs/dbraw/zinc/37/36/94/187373694.db2.gz UNBZAPAEFQDWAF-OAHLLOKOSA-N 0 0 294.358 2.368 10 30 CEEERN NC(=NO)c1nccc2c(F)cc(Br)cc21 ZINC000521400859 539556098 /nfs/dbraw/zinc/55/60/98/539556098.db2.gz DVPVALDHIUNWKS-UHFFFAOYSA-N 0 0 284.088 2.231 10 30 CEEERN N#C[C@@]1([C@@H](O)c2ccc(Br)cc2)CCOC1 ZINC000085884338 179196064 /nfs/dbraw/zinc/19/60/64/179196064.db2.gz SOIQCIOLPRYUEJ-RYUDHWBXSA-N 0 0 282.137 2.413 10 30 CEEERN N#Cc1ccc(S(=O)(=O)Nc2ccccc2F)c(N)c1 ZINC000085915677 179198502 /nfs/dbraw/zinc/19/85/02/179198502.db2.gz YMBBGAHSILJWFE-UHFFFAOYSA-N 0 0 291.307 2.080 10 30 CEEERN Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1N ZINC000085915797 179198723 /nfs/dbraw/zinc/19/87/23/179198723.db2.gz NDUZFADVKDXGFY-UHFFFAOYSA-N 0 0 287.344 2.250 10 30 CEEERN Cc1cnc(CNC2CC(C#N)(c3ccccc3)C2)cn1 ZINC000086038083 179221578 /nfs/dbraw/zinc/22/15/78/179221578.db2.gz BMOJJOUCUHEKEC-UHFFFAOYSA-N 0 0 278.359 2.499 10 30 CEEERN O=C(Nc1ccccc1C#CCCO)c1ccncc1F ZINC000086316913 179269706 /nfs/dbraw/zinc/26/97/06/179269706.db2.gz AUQFVJMHUKAYGN-UHFFFAOYSA-N 0 0 284.290 2.207 10 30 CEEERN C=CCNC(=O)CSc1cc(Cl)ccc1N ZINC000086480204 179301114 /nfs/dbraw/zinc/30/11/14/179301114.db2.gz RLGFSBPRAJZJIU-UHFFFAOYSA-N 0 0 256.758 2.317 10 30 CEEERN CCN(C[C@@H](C)C#N)c1ncc(N)cc1Br ZINC000086481116 179301210 /nfs/dbraw/zinc/30/12/10/179301210.db2.gz ROBLIBLUGFAQDS-QMMMGPOBSA-N 0 0 283.173 2.412 10 30 CEEERN CN[C@@]1(C#N)CCC[C@H](Sc2nncs2)C1 ZINC000086604336 179310599 /nfs/dbraw/zinc/31/05/99/179310599.db2.gz OBKXGQXAJISHRK-WPRPVWTQSA-N 0 0 254.384 2.055 10 30 CEEERN CS(=O)(=O)[C@@H]1CCC[C@]1(C#N)Nc1cccc(F)c1 ZINC000086677439 179319239 /nfs/dbraw/zinc/31/92/39/179319239.db2.gz XBDJBZOTSPJQII-CHWSQXEVSA-N 0 0 282.340 2.097 10 30 CEEERN CCOC(=O)c1cc(C#N)n(-c2ccc(C)cc2)n1 ZINC000066345530 362861611 /nfs/dbraw/zinc/86/16/11/362861611.db2.gz YGDOFHPSPHFCFT-UHFFFAOYSA-N 0 0 255.277 2.229 10 30 CEEERN COc1ccc(C#CCO)c(Cn2nc(C)c(C)c2C)c1 ZINC000087787634 179486465 /nfs/dbraw/zinc/48/64/65/179486465.db2.gz YSCPLEOEXRQMIF-UHFFFAOYSA-N 0 0 284.359 2.209 10 30 CEEERN COc1ccc(Cn2cc(Cl)c(N)n2)cc1C#N ZINC000087829042 179496522 /nfs/dbraw/zinc/49/65/22/179496522.db2.gz WSBNGVNJAAGYRR-UHFFFAOYSA-N 0 0 262.700 2.047 10 30 CEEERN CCOC(=O)N1CCOCC[C@@H]1c1ccc(C#N)cc1 ZINC000616658289 348550617 /nfs/dbraw/zinc/55/06/17/348550617.db2.gz IUAKVMBATYQPSS-CQSZACIVSA-N 0 0 274.320 2.478 10 30 CEEERN CCCN(CC#N)C(=O)c1c(F)cccc1OC ZINC000088080464 179544990 /nfs/dbraw/zinc/54/49/90/179544990.db2.gz NIZHVUUAIZCHKL-UHFFFAOYSA-N 0 0 250.273 2.210 10 30 CEEERN OCC#Cc1ccsc1CSc1ccncn1 ZINC000104194262 185924288 /nfs/dbraw/zinc/92/42/88/185924288.db2.gz KEZOECVROHAKBO-UHFFFAOYSA-N 0 0 262.359 2.174 10 30 CEEERN CC[C@H](C#N)S(=O)(=O)N(C)[C@@H](C)c1cccs1 ZINC000088477261 179611786 /nfs/dbraw/zinc/61/17/86/179611786.db2.gz PDYRYZAXEQEALD-VHSXEESVSA-N 0 0 272.395 2.373 10 30 CEEERN COC(=O)C[C@H](C)[S@@](=O)CCCC(C)(C)C#N ZINC000090102038 179914684 /nfs/dbraw/zinc/91/46/84/179914684.db2.gz WWQVCVXZECFMFC-DYZYQPBXSA-N 0 0 259.371 2.017 10 30 CEEERN COC(=O)C[C@H](C)Sc1nc2c(cc1C#N)CCC2 ZINC000090100729 179914921 /nfs/dbraw/zinc/91/49/21/179914921.db2.gz XLQJTTSGHKWXCK-VIFPVBQESA-N 0 0 276.361 2.486 10 30 CEEERN Cc1cnc(-n2c(CC#N)nc3ccccc32)c(N)c1 ZINC000090691463 180024456 /nfs/dbraw/zinc/02/44/56/180024456.db2.gz IOIRRSHGQXCKCU-UHFFFAOYSA-N 0 0 263.304 2.377 10 30 CEEERN C=CCc1ccccc1OCC#CCNC(=O)CC ZINC000090731535 180033326 /nfs/dbraw/zinc/03/33/26/180033326.db2.gz FCZAUPIKQRWQKD-UHFFFAOYSA-N 0 0 257.333 2.324 10 30 CEEERN C=CCc1ccccc1OCC#CCNC(=O)/C=C/C ZINC000090731550 180033561 /nfs/dbraw/zinc/03/35/61/180033561.db2.gz NCAXOANGWHKYOB-ONNFQVAWSA-N 0 0 269.344 2.490 10 30 CEEERN C#Cc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000104458771 186007097 /nfs/dbraw/zinc/00/70/97/186007097.db2.gz XLJYWTPFLKEVEG-ZIAGYGMSSA-N 0 0 251.285 2.124 10 30 CEEERN N#C[C@H]1CCCN(C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090893144 180055158 /nfs/dbraw/zinc/05/51/58/180055158.db2.gz APDAXWRLIAILOI-RISCZKNCSA-N 0 0 260.312 2.365 10 30 CEEERN N#CCCN(C(=O)c1csc(CN)n1)c1ccccc1 ZINC000090930131 180064255 /nfs/dbraw/zinc/06/42/55/180064255.db2.gz FFWZYVXEMQJNCO-UHFFFAOYSA-N 0 0 286.360 2.162 10 30 CEEERN C[C@@H](N)c1nc(C(=O)Nc2ccc(F)c(C#N)c2)cs1 ZINC000090953702 180073959 /nfs/dbraw/zinc/07/39/59/180073959.db2.gz QHEUREGNOQQERW-SSDOTTSWSA-N 0 0 290.323 2.426 10 30 CEEERN CCOC(=O)[C@H](C#N)c1cc(Br)ccn1 ZINC000091369027 180143318 /nfs/dbraw/zinc/14/33/18/180143318.db2.gz SKUNUUBFOQVASW-MRVPVSSYSA-N 0 0 269.098 2.014 10 30 CEEERN CC(C)NC(=O)C[C@H](C#N)NC1CCCCCC1 ZINC000091319162 180133762 /nfs/dbraw/zinc/13/37/62/180133762.db2.gz RSIYKLFPZLKXCP-CYBMUJFWSA-N 0 0 251.374 2.106 10 30 CEEERN CC(C)(C)NC(=O)C[C@H](C#N)Nc1ccc(F)cc1 ZINC000091321897 180134477 /nfs/dbraw/zinc/13/44/77/180134477.db2.gz BCEDDAIEPHMZOS-GFCCVEGCSA-N 0 0 263.316 2.435 10 30 CEEERN CCN(CC)C(=O)C[C@H](C#N)Nc1ccccc1F ZINC000091323090 180134533 /nfs/dbraw/zinc/13/45/33/180134533.db2.gz UEXMWGDIFRQBLQ-LLVKDONJSA-N 0 0 263.316 2.388 10 30 CEEERN CCN(CC)C(=O)C[C@H](C#N)NC1CCCCC1 ZINC000091323162 180134551 /nfs/dbraw/zinc/13/45/51/180134551.db2.gz XZTFIDOKRSOYGR-CYBMUJFWSA-N 0 0 251.374 2.059 10 30 CEEERN COc1ccccc1N[C@@H](C#N)CC(=O)N1CCCC1 ZINC000091324981 180134555 /nfs/dbraw/zinc/13/45/55/180134555.db2.gz CCANASIGALHRSS-GFCCVEGCSA-N 0 0 273.336 2.012 10 30 CEEERN Cc1ccc(N[C@H](C#N)CC(=O)N2CCCC2)cc1 ZINC000091324954 180134786 /nfs/dbraw/zinc/13/47/86/180134786.db2.gz ZKUVUIOPHVNEER-AWEZNQCLSA-N 0 0 257.337 2.312 10 30 CEEERN CCN(CC)C(=O)C[C@H](C#N)Nc1cccc(F)c1 ZINC000091323074 180134823 /nfs/dbraw/zinc/13/48/23/180134823.db2.gz MTMLSNZBYUSIRJ-CYBMUJFWSA-N 0 0 263.316 2.388 10 30 CEEERN CC(C)N[C@](C)(C#N)CCCSC[C@@H](C)CO ZINC000091258238 180115548 /nfs/dbraw/zinc/11/55/48/180115548.db2.gz JWFUCAZKORNAPR-STQMWFEESA-N 0 0 258.431 2.408 10 30 CEEERN CCOC(=O)[C@@H](C#N)c1cc(Br)ccn1 ZINC000091369026 180143009 /nfs/dbraw/zinc/14/30/09/180143009.db2.gz SKUNUUBFOQVASW-QMMMGPOBSA-N 0 0 269.098 2.014 10 30 CEEERN CC(C)CCC[C@H](C)NC(=O)c1ccncc1C#CCO ZINC000091458553 180160934 /nfs/dbraw/zinc/16/09/34/180160934.db2.gz PYFGEARZFSVASX-AWEZNQCLSA-N 0 0 288.391 2.370 10 30 CEEERN CCC(CC)[C@H](C)NC(=O)c1ccncc1C#CCCO ZINC000091459770 180161020 /nfs/dbraw/zinc/16/10/20/180161020.db2.gz DXQJOLPXRRZIKC-ZDUSSCGKSA-N 0 0 288.391 2.370 10 30 CEEERN C[C@H]1CC[C@H](C)N(C(=O)c2ccncc2C#CCCO)C1 ZINC000091460542 180161301 /nfs/dbraw/zinc/16/13/01/180161301.db2.gz URXTWWGRKFRJBY-KBPBESRZSA-N 0 0 286.375 2.076 10 30 CEEERN CN(CC1CC(O)C1)c1ccc(C#N)cc1Cl ZINC000091463205 180162071 /nfs/dbraw/zinc/16/20/71/180162071.db2.gz GXVNWOZOIJKEBH-UHFFFAOYSA-N 0 0 250.729 2.419 10 30 CEEERN CCc1cc(CN2CCC(C#N)(SC)CC2)n(C)n1 ZINC000091472941 180165343 /nfs/dbraw/zinc/16/53/43/180165343.db2.gz ZGLUNKMOJITAJQ-UHFFFAOYSA-N 0 0 278.425 2.204 10 30 CEEERN CSC1(C#N)CCN(C(=O)c2cccc(C)n2)CC1 ZINC000091477871 180166133 /nfs/dbraw/zinc/16/61/33/180166133.db2.gz MJTWAPDSUTYWSH-UHFFFAOYSA-N 0 0 275.377 2.251 10 30 CEEERN CSC1(C#N)CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000091477336 180166135 /nfs/dbraw/zinc/16/61/35/180166135.db2.gz RRMBUASKRQJLII-UHFFFAOYSA-N 0 0 290.454 2.083 10 30 CEEERN Cc1ncccc1NC(=O)c1sccc1C#CCCO ZINC000091497936 180173206 /nfs/dbraw/zinc/17/32/06/180173206.db2.gz OFIVSWOAMKSBAQ-UHFFFAOYSA-N 0 0 286.356 2.438 10 30 CEEERN O=Cc1c[nH]nc1-c1cccc(Br)c1 ZINC000105348343 186053822 /nfs/dbraw/zinc/05/38/22/186053822.db2.gz RKSRQOHEIHPFKT-QMMMGPOBSA-N 0 0 251.083 2.053 10 30 CEEERN N#C[C@@H]1CNCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000091750103 180245706 /nfs/dbraw/zinc/24/57/06/180245706.db2.gz PBUKKALNLYNFEJ-SECBINFHSA-N 0 0 299.161 2.323 10 30 CEEERN N#C[C@H]1CNCCN1Cc1cc(Cl)ccc1Cl ZINC000091749303 180245978 /nfs/dbraw/zinc/24/59/78/180245978.db2.gz NMNAQZRQCMNCTN-NSHDSACASA-N 0 0 270.163 2.291 10 30 CEEERN N#C[C@@H]1CNCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000091750087 180246262 /nfs/dbraw/zinc/24/62/62/180246262.db2.gz MSOXJVWBMHTTFT-LLVKDONJSA-N 0 0 298.268 2.035 10 30 CEEERN CCc1ccc(C(=O)NCc2ccccc2C#CCO)o1 ZINC000091763124 180248475 /nfs/dbraw/zinc/24/84/75/180248475.db2.gz NORBNRZKEMHASM-UHFFFAOYSA-N 0 0 283.327 2.116 10 30 CEEERN CCN(CC)C(=O)N(C)Cc1ccc(C#CCCO)cc1 ZINC000091962305 180293136 /nfs/dbraw/zinc/29/31/36/180293136.db2.gz JLIUHDLXLVKPOG-UHFFFAOYSA-N 0 0 288.391 2.314 10 30 CEEERN N#C[C@]1([C@H](O)c2ccccn2)CCOc2ccccc21 ZINC000091881100 180279430 /nfs/dbraw/zinc/27/94/30/180279430.db2.gz PYJMQVBQCUILCO-HZPDHXFCSA-N 0 0 266.300 2.359 10 30 CEEERN COc1ccc([C@H](O)[C@@H](C)C#N)cc1OC(F)F ZINC000091880052 180279460 /nfs/dbraw/zinc/27/94/60/180279460.db2.gz BWUSSYDUSHLFJK-WRWORJQWSA-N 0 0 257.236 2.490 10 30 CEEERN N#C[C@@]1([C@@H](O)c2c(F)cccc2Cl)CCOC1 ZINC000091881290 180279478 /nfs/dbraw/zinc/27/94/78/180279478.db2.gz SACSPZQSYPMKJA-RYUDHWBXSA-N 0 0 255.676 2.443 10 30 CEEERN N#C[C@]1([C@@H](O)c2cccnc2)CCOc2ccccc21 ZINC000091881054 180279499 /nfs/dbraw/zinc/27/94/99/180279499.db2.gz QXRCVQSJYNFJRW-JKSUJKDBSA-N 0 0 266.300 2.359 10 30 CEEERN CC[C@@H](C#N)[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000091881154 180279603 /nfs/dbraw/zinc/27/96/03/180279603.db2.gz HCOKQFHIYCHERE-ZANVPECISA-N 0 0 265.309 2.296 10 30 CEEERN N#CC1([C@@H](O)C2CCOCC2)Cc2ccccc2C1 ZINC000091884307 180280160 /nfs/dbraw/zinc/28/01/60/180280160.db2.gz IWTHMBBUTCIIJN-HNNXBMFYSA-N 0 0 257.333 2.083 10 30 CEEERN N#C[C@]1([C@]2(O)CCCOCC2)COc2ccccc2C1 ZINC000091903194 180282855 /nfs/dbraw/zinc/28/28/55/180282855.db2.gz DCOREBNIJWJMOW-HOTGVXAUSA-N 0 0 273.332 2.063 10 30 CEEERN C[C@@H]1CCCN(C(=O)NCc2cc(C#CCO)cs2)C1 ZINC000091992355 180300432 /nfs/dbraw/zinc/30/04/32/180300432.db2.gz XFXAPWHTLGFAKP-GFCCVEGCSA-N 0 0 292.404 2.033 10 30 CEEERN Cc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2C#N)n1 ZINC000091994273 180301273 /nfs/dbraw/zinc/30/12/73/180301273.db2.gz FXQMJVSVNRQUKS-UHFFFAOYSA-N 0 0 284.275 2.488 10 30 CEEERN CC[C@@H](C)N1C(=O)C[C@@H](Nc2cc(C#N)ccc2C)C1=O ZINC000106595325 186128563 /nfs/dbraw/zinc/12/85/63/186128563.db2.gz UDIICNTZCHKPKQ-BXUZGUMPSA-N 0 0 285.347 2.205 10 30 CEEERN C#CCn1c(N)c(-c2ccc(OC)c(OC)c2)nc1CC ZINC000106834144 186139230 /nfs/dbraw/zinc/13/92/30/186139230.db2.gz OLJNMALAIOMVMH-UHFFFAOYSA-N 0 0 285.347 2.345 10 30 CEEERN C#CC[N@@H+](CC(=O)[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000092491294 180395984 /nfs/dbraw/zinc/39/59/84/180395984.db2.gz NJHAUMMIIGSVLA-UWVGGRQHSA-N 0 0 263.259 2.127 10 30 CEEERN C#CCN(CCC)C(=O)c1cccc(OC)c1OC ZINC000108950517 186237577 /nfs/dbraw/zinc/23/75/77/186237577.db2.gz NMFLNBNKKAENTI-UHFFFAOYSA-N 0 0 261.321 2.189 10 30 CEEERN CCc1nc2n(n1)C[C@@H](Nc1nc(C)cc(C)c1C#N)CC2 ZINC000108948832 186237617 /nfs/dbraw/zinc/23/76/17/186237617.db2.gz GKUQKMKNLZUUIQ-LBPRGKRZSA-N 0 0 296.378 2.151 10 30 CEEERN C#CCN(CCC)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000108950782 186237935 /nfs/dbraw/zinc/23/79/35/186237935.db2.gz JSWZWOBDZCLQLO-UHFFFAOYSA-N 0 0 264.256 2.219 10 30 CEEERN CNC(=O)c1ccc(N)c(Nc2ccc(CC#N)cc2)c1 ZINC000109533278 186260008 /nfs/dbraw/zinc/26/00/08/186260008.db2.gz ZTYWGBQXHOOPBL-UHFFFAOYSA-N 0 0 280.331 2.438 10 30 CEEERN Cc1ccc(NC(=O)c2ccoc2)cc1C#CCO ZINC000109434288 186252525 /nfs/dbraw/zinc/25/25/25/186252525.db2.gz QECINWSDIZXOCG-UHFFFAOYSA-N 0 0 255.273 2.184 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000109446041 186253298 /nfs/dbraw/zinc/25/32/98/186253298.db2.gz HDYTWOCBOCGJSS-LLVKDONJSA-N 0 0 293.317 2.025 10 30 CEEERN CCC[C@@H](C#N)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000109448831 186253338 /nfs/dbraw/zinc/25/33/38/186253338.db2.gz ZGLRWKARESLWQC-HNNXBMFYSA-N 0 0 292.427 2.339 10 30 CEEERN CC[C@@H](C#N)N1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000109454767 186254145 /nfs/dbraw/zinc/25/41/45/186254145.db2.gz SNLJIQKBRCPOGM-HNNXBMFYSA-N 0 0 286.354 2.117 10 30 CEEERN C[C@H]1CCCN(C(=O)c2ccc(F)cc2C#CCO)CC1 ZINC000110817666 186326536 /nfs/dbraw/zinc/32/65/36/186326536.db2.gz NTVBGUJSKWKUGJ-ZDUSSCGKSA-N 0 0 289.350 2.432 10 30 CEEERN CS(=O)(=O)CCSc1cc(Cl)ccc1C#N ZINC000110871448 186330065 /nfs/dbraw/zinc/33/00/65/186330065.db2.gz WVWNILYHBHNUOP-UHFFFAOYSA-N 0 0 275.782 2.348 10 30 CEEERN CC[C@@H](C)NC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110950357 186335394 /nfs/dbraw/zinc/33/53/94/186335394.db2.gz UBYUTIQAVYTAND-LLVKDONJSA-N 0 0 270.336 2.017 10 30 CEEERN CC(C)NC(=O)[C@H](C)n1c(CC#N)nc2ccccc21 ZINC000110950602 186335571 /nfs/dbraw/zinc/33/55/71/186335571.db2.gz QSBOEZONJBTGEH-NSHDSACASA-N 0 0 270.336 2.188 10 30 CEEERN CCc1nc(Cn2c3ccccc3nc2CC#N)no1 ZINC000110949994 186335620 /nfs/dbraw/zinc/33/56/20/186335620.db2.gz VSYQNJKZJPLQOE-UHFFFAOYSA-N 0 0 267.292 2.096 10 30 CEEERN Cc1ccc(C#CCCO)cc1NS(=O)(=O)C(C)(C)C ZINC000111073124 186351048 /nfs/dbraw/zinc/35/10/48/186351048.db2.gz GITYGGAGYJMGED-UHFFFAOYSA-N 0 0 295.404 2.269 10 30 CEEERN CN(C[C@@H]1CCCOC1)C(=O)[C@@H](C#N)c1ccccc1 ZINC000111175932 186365322 /nfs/dbraw/zinc/36/53/22/186365322.db2.gz XDLORLLCIITXAG-ZFWWWQNUSA-N 0 0 272.348 2.179 10 30 CEEERN N#Cc1ccc(-c2nc(-c3ccc(N)cc3)no2)nc1 ZINC000111282524 186389831 /nfs/dbraw/zinc/38/98/31/186389831.db2.gz GNRBRGQURKNTNO-UHFFFAOYSA-N 0 0 263.260 2.252 10 30 CEEERN COCCN(CCC#N)[C@@H](C)C(=O)c1ccccc1 ZINC000111816762 186459269 /nfs/dbraw/zinc/45/92/69/186459269.db2.gz OOUYFDHRNJOICZ-ZDUSSCGKSA-N 0 0 260.337 2.120 10 30 CEEERN C=CCN(CC)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000112008022 186466285 /nfs/dbraw/zinc/46/62/85/186466285.db2.gz YHDLFBDOUXDILE-UHFFFAOYSA-N 0 0 252.245 2.382 10 30 CEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(C#N)o1 ZINC000131501670 187569019 /nfs/dbraw/zinc/56/90/19/187569019.db2.gz VYFAJLABQFWOAD-JTQLQIEISA-N 0 0 264.325 2.313 10 30 CEEERN C#CCCCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000156390435 188258888 /nfs/dbraw/zinc/25/88/88/188258888.db2.gz IWYRGPONAKDVNW-CYBMUJFWSA-N 0 0 294.395 2.163 10 30 CEEERN C=C(C)CNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000156579814 188269761 /nfs/dbraw/zinc/26/97/61/188269761.db2.gz UEEOCBZJANXJLT-NSHDSACASA-N 0 0 276.336 2.394 10 30 CEEERN Cc1cc(N2CCC[C@@](C)(CO)C2)c(C#N)c(C)n1 ZINC000132622341 366157811 /nfs/dbraw/zinc/15/78/11/366157811.db2.gz RPQALDLACAMRQY-OAHLLOKOSA-N 0 0 259.353 2.169 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000061888753 283057569 /nfs/dbraw/zinc/05/75/69/283057569.db2.gz TZIVATKCQXNDJW-SWLSCSKDSA-N 0 0 280.331 2.294 10 30 CEEERN N#Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)c[nH]1 ZINC000181165116 283091373 /nfs/dbraw/zinc/09/13/73/283091373.db2.gz ORXMDKHVULVZNO-ZDUSSCGKSA-N 0 0 267.288 2.140 10 30 CEEERN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H]1C ZINC000075513586 363468568 /nfs/dbraw/zinc/46/85/68/363468568.db2.gz SZMBXFZEKQCYBF-WCQYABFASA-N 0 0 288.347 2.250 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(C=O)c1OC(F)(F)F ZINC000575390941 366267098 /nfs/dbraw/zinc/26/70/98/366267098.db2.gz KENJVFZTMGOZKU-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN CCOC(=O)Cc1c(C=O)ccc(C(F)(F)F)c1C#N ZINC000575391061 366268442 /nfs/dbraw/zinc/26/84/42/366268442.db2.gz HGBCYUWGNGDJMI-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1C=O ZINC000575391309 366268459 /nfs/dbraw/zinc/26/84/59/366268459.db2.gz JNWPDEJWARCZJT-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)c1cc(OC(F)(F)F)cc(C=O)c1C#N ZINC000575391343 366268590 /nfs/dbraw/zinc/26/85/90/366268590.db2.gz UQQSXHRYVDIZOX-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(O)c1OC(F)(F)F ZINC000575392368 366270930 /nfs/dbraw/zinc/27/09/30/366270930.db2.gz WGRHAFMXYGAAOV-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN CCOC(=O)Cc1cc(O)c(C#N)cc1C(F)(F)F ZINC000575392406 366271453 /nfs/dbraw/zinc/27/14/53/366271453.db2.gz ZBEWVVSWTUXDFJ-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN COC(=O)Cc1ccc(C(F)(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575395807 366275933 /nfs/dbraw/zinc/27/59/33/366275933.db2.gz RKMHWQUBDCDYIC-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN COC(=O)c1c(C#N)cc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575395625 366276126 /nfs/dbraw/zinc/27/61/26/366276126.db2.gz KQXWQGHBDKZWBL-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN COc1c(Br)cc(C=O)cc1CC#N ZINC000575602761 366298215 /nfs/dbraw/zinc/29/82/15/366298215.db2.gz UWBPYQWCIYSFSR-UHFFFAOYSA-N 0 0 254.083 2.336 10 30 CEEERN COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1C ZINC000075977642 363503912 /nfs/dbraw/zinc/50/39/12/363503912.db2.gz JHFOVJDRUZQSAD-DOMZBBRYSA-N 0 0 287.363 2.125 10 30 CEEERN CCOc1c(C#N)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575656148 366315301 /nfs/dbraw/zinc/31/53/01/366315301.db2.gz COYDSYCMLXYVPA-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN N#CCc1c(O)cc(I)cc1F ZINC000575702734 366335355 /nfs/dbraw/zinc/33/53/55/366335355.db2.gz GRONBAAXLKKLSQ-UHFFFAOYSA-N 0 0 277.036 2.202 10 30 CEEERN CC[C@@H](C#N)N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000109464330 535390053 /nfs/dbraw/zinc/39/00/53/535390053.db2.gz QAMPVBNFVAABSE-ZDUSSCGKSA-N 0 0 288.351 2.327 10 30 CEEERN 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CEEERN Cn1ccnc1S[C@@H]1CC[C@](C#N)(NC2CC2)C1 ZINC000093806039 184723828 /nfs/dbraw/zinc/72/38/28/184723828.db2.gz HGTFMSZLTIWYGP-YPMHNXCESA-N 0 0 262.382 2.079 10 30 CEEERN CN[C@]1(C#N)CC[C@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000093805601 184723848 /nfs/dbraw/zinc/72/38/48/184723848.db2.gz QANSNZQOZDZPHB-ISVAXAHUSA-N 0 0 297.261 2.286 10 30 CEEERN CN[C@@]1(C#N)CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000093805194 184724386 /nfs/dbraw/zinc/72/43/86/184724386.db2.gz PTDUQXXIFUTXAF-GWCFXTLKSA-N 0 0 261.281 2.008 10 30 CEEERN C[C@@H](NC(=O)c1csc(C#CCO)c1)c1ccco1 ZINC000093973849 184746756 /nfs/dbraw/zinc/74/67/56/184746756.db2.gz XTXOQDPBZYAHKE-SNVBAGLBSA-N 0 0 275.329 2.176 10 30 CEEERN C[C@H](NC(=O)c1csc(C#CCO)c1)c1ccco1 ZINC000093973848 184746925 /nfs/dbraw/zinc/74/69/25/184746925.db2.gz XTXOQDPBZYAHKE-JTQLQIEISA-N 0 0 275.329 2.176 10 30 CEEERN C[C@H](Cc1ccco1)NC(=O)c1csc(C#CCO)c1 ZINC000093974390 184747376 /nfs/dbraw/zinc/74/73/76/184747376.db2.gz ISMGDOVWOQIECI-LLVKDONJSA-N 0 0 289.356 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C=C(Br)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152352245 394994562 /nfs/dbraw/zinc/99/45/62/394994562.db2.gz NENWZMPFLKOJFI-LBPRGKRZSA-N 0 0 283.169 2.443 10 30 CEEERN C#CCOCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000153980392 395020710 /nfs/dbraw/zinc/02/07/10/395020710.db2.gz DYSYASZTXYNPLO-CYBMUJFWSA-N 0 0 292.404 2.197 10 30 CEEERN CC#CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000134941796 394960480 /nfs/dbraw/zinc/96/04/80/394960480.db2.gz WLJKQBJUNNXXKG-SECBINFHSA-N 0 0 252.264 2.348 10 30 CEEERN CC#CCNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000135806028 394967686 /nfs/dbraw/zinc/96/76/86/394967686.db2.gz CDELESMBBNAUDH-GFCCVEGCSA-N 0 0 284.281 2.483 10 30 CEEERN CC#CCNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000135805984 394967766 /nfs/dbraw/zinc/96/77/66/394967766.db2.gz CDELESMBBNAUDH-LBPRGKRZSA-N 0 0 284.281 2.483 10 30 CEEERN COC(=O)Cc1ccc(C#N)cc1OC(F)(F)F ZINC000575345061 395660292 /nfs/dbraw/zinc/66/02/92/395660292.db2.gz UEYUYRKLMFOGRU-UHFFFAOYSA-N 0 0 259.183 2.172 10 30 CEEERN COC(=O)Cc1cc(OC(F)(F)F)ccc1C#N ZINC000575344862 395660320 /nfs/dbraw/zinc/66/03/20/395660320.db2.gz CMHMSNZPBOUIMV-UHFFFAOYSA-N 0 0 259.183 2.172 10 30 CEEERN COC(=O)Cc1cccc(OC(F)(F)F)c1C#N ZINC000575345054 395660373 /nfs/dbraw/zinc/66/03/73/395660373.db2.gz SMVOOSKOALZAQD-UHFFFAOYSA-N 0 0 259.183 2.172 10 30 CEEERN CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1C#N ZINC000575382860 395662324 /nfs/dbraw/zinc/66/23/24/395662324.db2.gz IALNAGGXDGBOEW-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1cc(Cl)c([N+](=O)[O-])cc1C#N ZINC000575382876 395662337 /nfs/dbraw/zinc/66/23/37/395662337.db2.gz LMMRCWAHBBKPLU-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)c1c(Cl)c(C#N)ccc1[N+](=O)[O-] ZINC000575382938 395662499 /nfs/dbraw/zinc/66/24/99/395662499.db2.gz USAPRZLYXSQEJY-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCc1ccc(C#N)c(OC(F)F)c1CC(=O)OC ZINC000575385547 395662723 /nfs/dbraw/zinc/66/27/23/395662723.db2.gz ZHDZJXPQQMQOGR-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(C=O)c(C(F)F)c1 ZINC000575387473 395663209 /nfs/dbraw/zinc/66/32/09/395663209.db2.gz IXEPWKFMLYYJTQ-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)Cc1ccc(C=O)c(C#N)c1C(F)F ZINC000575387615 395663362 /nfs/dbraw/zinc/66/33/62/395663362.db2.gz KADKTTYJOUOBQD-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(C(F)F)cc1C=O ZINC000575388046 395663371 /nfs/dbraw/zinc/66/33/71/395663371.db2.gz SUQLSHWGODNNHE-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)cc1OC ZINC000575388373 395663631 /nfs/dbraw/zinc/66/36/31/395663631.db2.gz HCZRPKPAOOEHLL-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN CCOC(=O)c1c(OC)ccc(C#N)c1OC(F)F ZINC000575388672 395663803 /nfs/dbraw/zinc/66/38/03/395663803.db2.gz RRUMMEKBDWWZSY-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN CCOC(=O)Cc1cc(OC)cc(C#N)c1OC(F)F ZINC000575388567 395663836 /nfs/dbraw/zinc/66/38/36/395663836.db2.gz NCMUGRCHHMLISK-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(C)c1OC(F)F ZINC000575388535 395663888 /nfs/dbraw/zinc/66/38/88/395663888.db2.gz XSIBPSFGZIJZDH-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1[N+](=O)[O-] ZINC000575389013 395664084 /nfs/dbraw/zinc/66/40/84/395664084.db2.gz QOAYUAOHELDOJF-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN N#C[C@]1(Br)CCO[C@H](C(F)(F)F)C1 ZINC000306353689 400332585 /nfs/dbraw/zinc/33/25/85/400332585.db2.gz PXVINXQEZRBJTP-WDSKDSINSA-N 0 0 258.037 2.385 10 30 CEEERN NC(=NO)c1nccc2c(Br)cc(F)cc21 ZINC000521401677 400602623 /nfs/dbraw/zinc/60/26/23/400602623.db2.gz ZIUMYQXFCSYNOK-UHFFFAOYSA-N 0 0 284.088 2.231 10 30 CEEERN N#Cc1c(F)cccc1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000189726238 153107043 /nfs/dbraw/zinc/10/70/43/153107043.db2.gz WCLDUXKNGPHXSE-UHFFFAOYSA-N 0 0 298.321 2.440 10 30 CEEERN CCOc1cc(C#N)ccc1OCc1nnc(CC)n1C ZINC000194672897 153260578 /nfs/dbraw/zinc/26/05/78/153260578.db2.gz GQNYINGFQGGOMY-UHFFFAOYSA-N 0 0 286.335 2.227 10 30 CEEERN N#Cc1ccc(CNC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000194690098 153262864 /nfs/dbraw/zinc/26/28/64/153262864.db2.gz XRDZKWNSHKVILD-OAHLLOKOSA-N 0 0 293.326 2.491 10 30 CEEERN O=[N+]([O-])c1cccc(NN=Cc2ccc(O)c(O)c2)c1 ZINC000006948610 170258365 /nfs/dbraw/zinc/25/83/65/170258365.db2.gz ODCWNAYUENOEAX-RIYZIHGNSA-N 0 0 273.248 2.452 10 30 CEEERN CC(C)(C)C(=O)NC(=S)Nc1cccc(C#N)c1 ZINC000008556019 170340291 /nfs/dbraw/zinc/34/02/91/170340291.db2.gz HFZMKWFHNGWGRL-UHFFFAOYSA-N 0 0 261.350 2.417 10 30 CEEERN C#CCCN1C(=O)C(=O)c2ccc(Br)cc21 ZINC000019967198 170948893 /nfs/dbraw/zinc/94/88/93/170948893.db2.gz KDEBAKHOIVWHLW-UHFFFAOYSA-N 0 0 278.105 2.002 10 30 CEEERN CCOC(=O)CN[C@@H](C#N)c1cccc(Cl)c1 ZINC000020174044 171041479 /nfs/dbraw/zinc/04/14/79/171041479.db2.gz IKTGRHXFNFRFEI-NSHDSACASA-N 0 0 252.701 2.057 10 30 CEEERN CN(C(=O)C#Cc1ccccc1)c1ccc(O)cc1 ZINC000020211029 171075204 /nfs/dbraw/zinc/07/52/04/171075204.db2.gz VYBKVAGCLPHILE-UHFFFAOYSA-N 0 0 251.285 2.407 10 30 CEEERN CC(C)[C@@H](C)NS(=O)(=O)Cc1ccccc1C#N ZINC000020360655 171159383 /nfs/dbraw/zinc/15/93/83/171159383.db2.gz LNZOWNDCAYIIEC-LLVKDONJSA-N 0 0 266.366 2.022 10 30 CEEERN C#CCNC(=O)[C@@H](C)Nc1ccc(Br)cc1C ZINC000020367433 171165989 /nfs/dbraw/zinc/16/59/89/171165989.db2.gz ALYVKYVDBKOPKL-SNVBAGLBSA-N 0 0 295.180 2.307 10 30 CEEERN C/C(=N\O)c1ccccc1O[C@H](C)C(=O)NC(C)C ZINC000020422059 171188280 /nfs/dbraw/zinc/18/82/80/171188280.db2.gz FCGQSASEPJPGTL-HPUUJOOBSA-N 0 0 264.325 2.177 10 30 CEEERN COc1ccc(C(=O)Nc2ccccc2C#N)cc1N ZINC000022212316 171373861 /nfs/dbraw/zinc/37/38/61/171373861.db2.gz IKMMNOVPCOBJME-UHFFFAOYSA-N 0 0 267.288 2.401 10 30 CEEERN N#Cc1c[nH]c(-c2ccc(-c3nc(C#N)c[nH]3)cc2)n1 ZINC000026990087 171505466 /nfs/dbraw/zinc/50/54/66/171505466.db2.gz NFSHCTGTTJMHDF-UHFFFAOYSA-N 0 0 260.260 2.210 10 30 CEEERN Cc1cc(Br)ccc1-n1ncc(C#N)c1N ZINC000032122784 171712877 /nfs/dbraw/zinc/71/28/77/171712877.db2.gz UYHSSNIYTJIRAK-UHFFFAOYSA-N 0 0 277.125 2.397 10 30 CEEERN N#Cc1ccc(Oc2ccc(C(N)=O)cc2N)cc1 ZINC000035331771 172129874 /nfs/dbraw/zinc/12/98/74/172129874.db2.gz UUIBGCZZURFMSD-UHFFFAOYSA-N 0 0 253.261 2.032 10 30 CEEERN Cc1oncc1C(=O)Nc1ccccc1OCC#N ZINC000036987864 172852319 /nfs/dbraw/zinc/85/23/19/172852319.db2.gz QREFZVVASDYFJE-UHFFFAOYSA-N 0 0 257.249 2.138 10 30 CEEERN N#C[C@@]1(N2CCOCC2)CCCCc2ccccc21 ZINC000037357238 173147845 /nfs/dbraw/zinc/14/78/45/173147845.db2.gz LQPGLHZKEKNDGR-INIZCTEOSA-N 0 0 256.349 2.464 10 30 CEEERN CN[C@@H](C#N)c1ccc(OC)c(Br)c1 ZINC000038052190 174063343 /nfs/dbraw/zinc/06/33/43/174063343.db2.gz QTLOKNWDQLICHD-VIFPVBQESA-N 0 0 255.115 2.242 10 30 CEEERN C=CCN(CC=C)C(=O)COc1ccc(NC)cc1 ZINC000038056745 174067653 /nfs/dbraw/zinc/06/76/53/174067653.db2.gz YYTMOGKZZHGHGZ-UHFFFAOYSA-N 0 0 260.337 2.308 10 30 CEEERN N#Cc1ccccc1Cn1cc(Br)c(N)n1 ZINC000040516012 174307124 /nfs/dbraw/zinc/30/71/24/174307124.db2.gz ZZFINHSEASRPNF-UHFFFAOYSA-N 0 0 277.125 2.148 10 30 CEEERN N#Cc1ccccc1-n1cc(Br)c(N)n1 ZINC000040517085 174307256 /nfs/dbraw/zinc/30/72/56/174307256.db2.gz UUTASUAGIBUTPS-UHFFFAOYSA-N 0 0 263.098 2.089 10 30 CEEERN C=CCN1C(=O)C(=O)c2cc(Br)c(F)cc21 ZINC000042135389 174639785 /nfs/dbraw/zinc/63/97/85/174639785.db2.gz WZVUQVULXCKAIM-UHFFFAOYSA-N 0 0 284.084 2.304 10 30 CEEERN CS(=O)(=O)c1cccc(OCCCCC#N)c1 ZINC000042274807 174672924 /nfs/dbraw/zinc/67/29/24/174672924.db2.gz VUSAFHFAYOTBRT-UHFFFAOYSA-N 0 0 253.323 2.163 10 30 CEEERN CCN(CCC#N)CC(=O)Nc1cc(N)ccc1Cl ZINC000042450371 174743714 /nfs/dbraw/zinc/74/37/14/174743714.db2.gz AKVCJSYNJPFRPE-UHFFFAOYSA-N 0 0 280.759 2.096 10 30 CEEERN CC(C)N(CCC#N)[C@@H](C)C(=O)Nc1cc(N)ccc1F ZINC000042528536 174778610 /nfs/dbraw/zinc/77/86/10/174778610.db2.gz WZXUFYPGPFSYAR-NSHDSACASA-N 0 0 292.358 2.359 10 30 CEEERN O=C1CCCCCCN1Cc1cc(C#CCO)cs1 ZINC000043698827 175096658 /nfs/dbraw/zinc/09/66/58/175096658.db2.gz BWLSIOUDXSSDMX-UHFFFAOYSA-N 0 0 277.389 2.385 10 30 CEEERN C[C@@H](NC(=O)C1(C#N)CCOCC1)c1cccc(F)c1 ZINC000044766691 175249225 /nfs/dbraw/zinc/24/92/25/175249225.db2.gz SDBJDKBLTMYMLX-LLVKDONJSA-N 0 0 276.311 2.323 10 30 CEEERN CCN(CC)C(=O)CN(C)C(=O)C1(C#N)CCCCCC1 ZINC000044766394 175249232 /nfs/dbraw/zinc/24/92/32/175249232.db2.gz MJGDJUPTFIUQSL-UHFFFAOYSA-N 0 0 293.411 2.177 10 30 CEEERN COCCN(C(=O)C1(C#N)CCCCC1)C1CC1 ZINC000044766389 175249278 /nfs/dbraw/zinc/24/92/78/175249278.db2.gz ODPFGJAXMAMLNH-UHFFFAOYSA-N 0 0 250.342 2.098 10 30 CEEERN C[C@H](Cn1cccn1)NC(=O)C1(C#N)CCCCCC1 ZINC000044766404 175249425 /nfs/dbraw/zinc/24/94/25/175249425.db2.gz QBSFPTBMYPSKOM-CYBMUJFWSA-N 0 0 274.368 2.252 10 30 CEEERN CCCN(CC(=O)OCC)C(=O)C1(C#N)CCCCC1 ZINC000044767178 175249697 /nfs/dbraw/zinc/24/96/97/175249697.db2.gz GIFCGCMEJIXEOP-UHFFFAOYSA-N 0 0 280.368 2.262 10 30 CEEERN CCCN(CC(=O)OC)C(=O)C1(C#N)CCCCCC1 ZINC000044767203 175249780 /nfs/dbraw/zinc/24/97/80/175249780.db2.gz ZIFSBPYINFNUPJ-UHFFFAOYSA-N 0 0 280.368 2.262 10 30 CEEERN COc1ccc(NC(=O)[C@@H](C#N)Cc2ccccc2)cn1 ZINC000044810526 175258089 /nfs/dbraw/zinc/25/80/89/175258089.db2.gz CWNSMSHVQGKHNS-CYBMUJFWSA-N 0 0 281.315 2.411 10 30 CEEERN COCCN(CC(C)C)C(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044826209 175259322 /nfs/dbraw/zinc/25/93/22/175259322.db2.gz UIICNSQMLPGEOW-MRXNPFEDSA-N 0 0 288.391 2.500 10 30 CEEERN COc1ccccc1CN(C)C(=O)[C@H](C#N)C(C)C ZINC000044824319 175259387 /nfs/dbraw/zinc/25/93/87/175259387.db2.gz BWZOTICOYZMRDB-CYBMUJFWSA-N 0 0 260.337 2.449 10 30 CEEERN CN[C@](C#N)(CN(C)C1CCCC1)c1ccccc1 ZINC000045180266 175324374 /nfs/dbraw/zinc/32/43/74/175324374.db2.gz HBUVQSZLDXBGAO-MRXNPFEDSA-N 0 0 257.381 2.499 10 30 CEEERN CN[C@@](C)(C#N)CCN(CC(F)(F)F)C(C)C ZINC000045181661 175324868 /nfs/dbraw/zinc/32/48/68/175324868.db2.gz YJSOHMNHKWREQA-SNVBAGLBSA-N 0 0 251.296 2.151 10 30 CEEERN CC(C)N[C@@](C)(C#N)CCOc1ccc2c(c1)OCO2 ZINC000045208768 175328758 /nfs/dbraw/zinc/32/87/58/175328758.db2.gz XYICODIMKZTCIJ-OAHLLOKOSA-N 0 0 276.336 2.464 10 30 CEEERN CN[C@](C#N)(COCC(F)(F)F)c1ccccc1 ZINC000045209223 175328809 /nfs/dbraw/zinc/32/88/09/175328809.db2.gz QODJCHAGWALITC-LLVKDONJSA-N 0 0 258.243 2.204 10 30 CEEERN COc1cccc(OC[C@@](N)(C#N)c2ccccc2)c1 ZINC000045210858 175328954 /nfs/dbraw/zinc/32/89/54/175328954.db2.gz VAOWFCOBTUQMRY-INIZCTEOSA-N 0 0 268.316 2.452 10 30 CEEERN CC(C)N[C@@](C)(C#N)COc1cc(F)ccc1[N+](=O)[O-] ZINC000045214490 175329165 /nfs/dbraw/zinc/32/91/65/175329165.db2.gz PWOINAPMMAHHEI-ZDUSSCGKSA-N 0 0 281.287 2.393 10 30 CEEERN CCN[C@](C)(C#N)CCOc1ccc([N+](=O)[O-])cc1F ZINC000045214833 175329507 /nfs/dbraw/zinc/32/95/07/175329507.db2.gz UMVWDCPFNYXDSQ-ZDUSSCGKSA-N 0 0 281.287 2.395 10 30 CEEERN CN[C@](C)(C#N)CCOc1cccc([N+](=O)[O-])c1C ZINC000045214651 175329579 /nfs/dbraw/zinc/32/95/79/175329579.db2.gz IZDABVGPOMBFHT-ZDUSSCGKSA-N 0 0 263.297 2.174 10 30 CEEERN CN[C@@](C)(C#N)CCOc1cc([N+](=O)[O-])ccc1C ZINC000045214711 175329686 /nfs/dbraw/zinc/32/96/86/175329686.db2.gz YPHQLTDTDBMLHZ-CYBMUJFWSA-N 0 0 263.297 2.174 10 30 CEEERN CN[C@](C#N)(CSc1nncs1)c1ccccc1 ZINC000045219249 175330287 /nfs/dbraw/zinc/33/02/87/175330287.db2.gz RSCSAZJFHRFLQS-GFCCVEGCSA-N 0 0 276.390 2.269 10 30 CEEERN CCCN[C@H](C#N)CN(CC(F)(F)F)C(C)C ZINC000045313438 175357025 /nfs/dbraw/zinc/35/70/25/175357025.db2.gz NOSRXMBFZXLRDV-SNVBAGLBSA-N 0 0 251.296 2.151 10 30 CEEERN COc1cccc(OC)c1OCCC[C@](C)(N)C#N ZINC000045326811 175359530 /nfs/dbraw/zinc/35/95/30/175359530.db2.gz COMKTBUATBXZKW-AWEZNQCLSA-N 0 0 264.325 2.104 10 30 CEEERN C[C@@](C#N)(CCCOCC(F)(F)F)NC1CC1 ZINC000045326543 175359549 /nfs/dbraw/zinc/35/95/49/175359549.db2.gz QDAQGJLLHHUJGZ-JTQLQIEISA-N 0 0 250.264 2.380 10 30 CEEERN CN[C@](C)(C#N)CCCOc1ccc2c(c1)OCO2 ZINC000045326336 175359756 /nfs/dbraw/zinc/35/97/56/175359756.db2.gz UPMBMXOWKFOXAA-AWEZNQCLSA-N 0 0 262.309 2.076 10 30 CEEERN CCN[C@](C)(C#N)CCCOc1ccc2c(c1)OCO2 ZINC000045326337 175359875 /nfs/dbraw/zinc/35/98/75/175359875.db2.gz QSIDDCULHIPUDG-HNNXBMFYSA-N 0 0 276.336 2.466 10 30 CEEERN C[C@](N)(C#N)CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000045332384 175360881 /nfs/dbraw/zinc/36/08/81/175360881.db2.gz MNRPLKHKVIWJON-GFCCVEGCSA-N 0 0 267.260 2.134 10 30 CEEERN C=CCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045625340 175381902 /nfs/dbraw/zinc/38/19/02/175381902.db2.gz RACFGDNLNJZBIR-UHFFFAOYSA-N 0 0 285.097 2.273 10 30 CEEERN Cc1cc(C#CCCO)ccc1NC(=O)[C@H]1CCCCO1 ZINC000050971237 175521575 /nfs/dbraw/zinc/52/15/75/175521575.db2.gz MRARVEJPPRCUKJ-MRXNPFEDSA-N 0 0 287.359 2.237 10 30 CEEERN C=CCN[C@H](C(=O)OCC)c1cc(C)c(O)c(C)c1 ZINC000051961741 175528939 /nfs/dbraw/zinc/52/89/39/175528939.db2.gz KWTNNEBXNSYUCD-ZDUSSCGKSA-N 0 0 263.337 2.389 10 30 CEEERN C=CCN[C@@](C)(C(=O)OC)c1ccc2c(c1)OCCCO2 ZINC000051961296 175528982 /nfs/dbraw/zinc/52/89/82/175528982.db2.gz XDHZMNDUHCDNOS-MRXNPFEDSA-N 0 0 291.347 2.012 10 30 CEEERN C=CCN[C@@H](C(=O)OCC)c1ccc(F)cc1F ZINC000051961960 175529135 /nfs/dbraw/zinc/52/91/35/175529135.db2.gz QNTPBBDNCNNDCU-GFCCVEGCSA-N 0 0 255.264 2.345 10 30 CEEERN C#CCN[C@H](C(=O)OCC)c1ccc(SC)cc1 ZINC000051964961 175529155 /nfs/dbraw/zinc/52/91/55/175529155.db2.gz IABJFQKTNOVESG-ZDUSSCGKSA-N 0 0 263.362 2.236 10 30 CEEERN COC(=O)[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054828935 175564648 /nfs/dbraw/zinc/56/46/48/175564648.db2.gz KLFCZDYMQRJDJH-MGPQQGTHSA-N 0 0 258.321 2.183 10 30 CEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)NC1CC1 ZINC000061691815 175653139 /nfs/dbraw/zinc/65/31/39/175653139.db2.gz NIOXDAIYRDNZPB-UHFFFAOYSA-N 0 0 278.739 2.358 10 30 CEEERN COCCC(=O)Nc1cc(C#CCCO)ccc1Cl ZINC000061691780 175653413 /nfs/dbraw/zinc/65/34/13/175653413.db2.gz HPAJJDQBHBHBNY-UHFFFAOYSA-N 0 0 281.739 2.049 10 30 CEEERN CC[C@H](C)n1ccc(COc2cncc(C#CCO)c2)n1 ZINC000070002044 175866308 /nfs/dbraw/zinc/86/63/08/175866308.db2.gz LYHDWGYPUACCTH-ZDUSSCGKSA-N 0 0 285.347 2.172 10 30 CEEERN C[C@@](N)(C#N)CSc1ccc(Br)cn1 ZINC000070615663 175997498 /nfs/dbraw/zinc/99/74/98/175997498.db2.gz NUMGISFPLIOFEF-SECBINFHSA-N 0 0 272.171 2.177 10 30 CEEERN C=CCN(CC=C)C(=O)C1CN(C(=O)c2cccs2)C1 ZINC000070810172 176006015 /nfs/dbraw/zinc/00/60/15/176006015.db2.gz FWDSTHXBSFPXKM-UHFFFAOYSA-N 0 0 290.388 2.021 10 30 CEEERN CNc1ccc(C(=O)N(CCC#N)CCOC)cc1C ZINC000071233115 176092792 /nfs/dbraw/zinc/09/27/92/176092792.db2.gz UGKQAZMRZADAGY-UHFFFAOYSA-N 0 0 275.352 2.039 10 30 CEEERN O=C[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1 ZINC000071245264 176095176 /nfs/dbraw/zinc/09/51/76/176095176.db2.gz GPQBFZSCHGUTPH-MRXNPFEDSA-N 0 0 267.328 2.156 10 30 CEEERN C[C@H](c1cccc(C#CCO)c1)N1CCCCCC1=O ZINC000071278302 176107604 /nfs/dbraw/zinc/10/76/04/176107604.db2.gz ILRQOQDVJZANEQ-CQSZACIVSA-N 0 0 271.360 2.494 10 30 CEEERN O=C(NCc1ccc(C#CCO)s1)c1cccs1 ZINC000071322513 176122955 /nfs/dbraw/zinc/12/29/55/176122955.db2.gz DEFCGXVIOXKHIU-UHFFFAOYSA-N 0 0 277.370 2.083 10 30 CEEERN Cc1sc(=O)n(Cc2ccccc2C#CCCO)c1C ZINC000071351756 176135057 /nfs/dbraw/zinc/13/50/57/176135057.db2.gz ZCKNDRKCDREGIC-UHFFFAOYSA-N 0 0 287.384 2.309 10 30 CEEERN C=CCSCC(=O)N(CCC)CCC(=O)OCC ZINC000071552820 176196496 /nfs/dbraw/zinc/19/64/96/176196496.db2.gz VWLSZAJNXHLZOV-UHFFFAOYSA-N 0 0 273.398 2.097 10 30 CEEERN N#C[C@@H]1c2ccccc2C(=O)N1Cc1nccs1 ZINC000071677967 176242874 /nfs/dbraw/zinc/24/28/74/176242874.db2.gz ULWNCENDHKLZEA-LLVKDONJSA-N 0 0 255.302 2.364 10 30 CEEERN COc1ccc2c(c1)[C@@H](C#N)N(C1CCC(O)CC1)C2=O ZINC000071678525 176243573 /nfs/dbraw/zinc/24/35/73/176243573.db2.gz RCCFXJJRLCSHRP-QKFMDRJYSA-N 0 0 286.331 2.019 10 30 CEEERN CCCN1C(=O)c2cc(OC)c(OC)c(OC)c2C1C#N ZINC000071682226 176245775 /nfs/dbraw/zinc/24/57/75/176245775.db2.gz IKLKWLAHYBILAB-JTQLQIEISA-N 0 0 290.319 2.143 10 30 CEEERN C=CCOC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000076847760 177119360 /nfs/dbraw/zinc/11/93/60/177119360.db2.gz JUQSRDAYBRMIDE-GHMZBOCLSA-N 0 0 269.341 2.409 10 30 CEEERN CC(C)OCCOC(=O)c1ccc(OC[C@@H]2CO2)cc1 ZINC000077301406 177250481 /nfs/dbraw/zinc/25/04/81/177250481.db2.gz WIXOVOWSUCEDGS-CQSZACIVSA-N 0 0 280.320 2.046 10 30 in-vitro CEEERN N#C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccccc1 ZINC000078637602 177362946 /nfs/dbraw/zinc/36/29/46/177362946.db2.gz AVIIDPLLCWGEEI-KGLIPLIRSA-N 0 0 258.321 2.327 10 30 CEEERN CC[C@@H](CC#N)NC(=O)c1ccc(N)c(Br)c1 ZINC000078894282 177402793 /nfs/dbraw/zinc/40/27/93/177402793.db2.gz GFFZWAUIWLGMCO-VIFPVBQESA-N 0 0 296.168 2.453 10 30 CEEERN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(C#CCO)ccc1F ZINC000080159233 177616657 /nfs/dbraw/zinc/61/66/57/177616657.db2.gz SVQILZIGZVRQKI-WOSRLPQWSA-N 0 0 287.334 2.088 10 30 CEEERN Cc1nc(CN(C)C(=O)N[C@H]2CCCOCC2)cs1 ZINC000329414632 224655727 /nfs/dbraw/zinc/65/57/27/224655727.db2.gz CVCFREZUPGNZAH-NSHDSACASA-N 0 0 283.397 2.366 10 30 CEEERN O=C(N[C@H]1CCc2ccccc21)N[C@@H]1CCn2ccnc2C1 ZINC000330185062 228058817 /nfs/dbraw/zinc/05/88/17/228058817.db2.gz RDFDWQXVRVRSLI-HIFRSBDPSA-N 0 0 296.374 2.389 10 30 CEEERN C=CC[C@@H](CO)Nc1c(C#N)cnc2ccccc21 ZINC000302121020 261347218 /nfs/dbraw/zinc/34/72/18/261347218.db2.gz GAWOGBIHBMAIKO-LBPRGKRZSA-N 0 0 253.305 2.455 10 30 CEEERN C[C@H]1C[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000188675874 262159953 /nfs/dbraw/zinc/15/99/53/262159953.db2.gz ZYZLZTJEAJIRPO-WDEREUQCSA-N 0 0 274.324 2.294 10 30 CEEERN C[C@H](NC(=O)[C@@H]1C[C@H](C)CC(=O)N1)[C@H]1CCCO1 ZINC000328739361 263851526 /nfs/dbraw/zinc/85/15/26/263851526.db2.gz HWAVSWQSPQPQES-XWLWVQCSSA-N 0 0 254.330 2.265 10 30 CEEERN C[C@H](C(=O)Nc1scnc1C1CC1)N1CCOCC1 ZINC000328913731 263900241 /nfs/dbraw/zinc/90/02/41/263900241.db2.gz IISZARNTAIWTEV-SECBINFHSA-N 0 0 281.381 2.329 10 30 CEEERN C=CCOCCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120455781 267458759 /nfs/dbraw/zinc/45/87/59/267458759.db2.gz PQOQFPCKZMDEOE-GDBMZVCRSA-N 0 0 281.396 2.123 10 30 CEEERN CNc1nc(CN(C)[C@@H](C)CC#N)nc2sccc21 ZINC000063089930 522679987 /nfs/dbraw/zinc/67/99/87/522679987.db2.gz KGGSIZCYGIYCCP-VIFPVBQESA-N 0 0 275.381 2.467 10 30 CEEERN C=CCN1CCN(C(=O)c2ccco2)c2cccnc21 ZINC000064929684 275427707 /nfs/dbraw/zinc/42/77/07/275427707.db2.gz IZOAVGQEFQATDZ-UHFFFAOYSA-N 0 0 269.304 2.327 10 30 CEEERN CCOC(=O)c1cnc(N)c(C#Cc2ccccc2)c1 ZINC000117914934 276301183 /nfs/dbraw/zinc/30/11/83/276301183.db2.gz LOKQLQKZYTYSDH-UHFFFAOYSA-N 0 0 266.300 2.240 10 30 CEEERN CC(C)c1nc2c(n1C)CCN(c1cccc(C#N)n1)C2 ZINC000122968010 278076215 /nfs/dbraw/zinc/07/62/15/278076215.db2.gz OTOUQUSSMBHFQS-UHFFFAOYSA-N 0 0 281.363 2.373 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cncc(Br)c1 ZINC000061888825 279484671 /nfs/dbraw/zinc/48/46/71/279484671.db2.gz ODGQWQUFWHGAED-GZMMTYOYSA-N 0 0 294.152 2.266 10 30 CEEERN N#Cc1c[nH]c2nccc(I)c12 ZINC000095929568 279499249 /nfs/dbraw/zinc/49/92/49/279499249.db2.gz WOUDYMHTZNGFKM-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN N#Cc1cc(F)c(N2CCn3ccnc3C2)c(F)c1 ZINC000096474579 279504305 /nfs/dbraw/zinc/50/43/05/279504305.db2.gz OHSXTODNEOQASA-UHFFFAOYSA-N 0 0 260.247 2.053 10 30 CEEERN C[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)O1 ZINC000129052858 279902409 /nfs/dbraw/zinc/90/24/09/279902409.db2.gz MEOKCPJYKOSMCI-SMDDNHRTSA-N 0 0 258.321 2.084 10 30 CEEERN N#CCCS(=O)(=O)N1CCCC2(CCCCC2)C1 ZINC000334701589 303154272 /nfs/dbraw/zinc/15/42/72/303154272.db2.gz OLZUGVLWUYGYGF-UHFFFAOYSA-N 0 0 270.398 2.276 10 30 CEEERN N#Cc1cnn(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1N ZINC000175704646 303214147 /nfs/dbraw/zinc/21/41/47/303214147.db2.gz CUNBWZQGUVDLSB-VXGBXAGGSA-N 0 0 258.325 2.194 10 30 CEEERN C#CCCCNC(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000173330725 329146054 /nfs/dbraw/zinc/14/60/54/329146054.db2.gz MCBUISYIIIKYBG-CQSZACIVSA-N 0 0 288.395 2.205 10 30 CEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000189365244 329379999 /nfs/dbraw/zinc/37/99/99/329379999.db2.gz YPYGBVHWWPDGBO-OFQRWUPVSA-N 0 0 282.428 2.060 10 30 CEEERN Cc1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000193642390 333254624 /nfs/dbraw/zinc/25/46/24/333254624.db2.gz ZPFVLQMBOMEVQG-IAQYHMDHSA-N 0 0 275.352 2.047 10 30 CEEERN CC(C)N(CCC#N)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455664 519641333 /nfs/dbraw/zinc/64/13/33/519641333.db2.gz GMEPBTQDJZHTTG-UHFFFAOYSA-N 0 0 269.692 2.167 10 30 CEEERN CC(C)N(CCC#N)C(=O)c1nc(N)ccc1Cl ZINC000050710176 519641509 /nfs/dbraw/zinc/64/15/09/519641509.db2.gz AWCJQRZJDSIIHW-UHFFFAOYSA-N 0 0 266.732 2.081 10 30 CEEERN CCCCN(CC(N)=O)c1cc(Cl)ccc1C#N ZINC000062790048 520452714 /nfs/dbraw/zinc/45/27/14/520452714.db2.gz XGJPZZLOBIDLHA-UHFFFAOYSA-N 0 0 265.744 2.303 10 30 CEEERN CCCCNC(=O)[C@@H](C)N(C)c1ccc(C#N)cc1 ZINC000061955718 520645660 /nfs/dbraw/zinc/64/56/60/520645660.db2.gz BMNCWSARLCTCPO-GFCCVEGCSA-N 0 0 259.353 2.299 10 30 CEEERN C[C@H](CC(=O)N[C@@]1(C)CCCOC1)N1CCCCC1=O ZINC000330015496 534299202 /nfs/dbraw/zinc/29/92/02/534299202.db2.gz OBINKNLMHWSNMM-DOMZBBRYSA-N 0 0 282.384 2.303 10 30 CEEERN C=CCNC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 ZINC000066087738 518894724 /nfs/dbraw/zinc/89/47/24/518894724.db2.gz PCKYJAMXGGXRSK-UHFFFAOYSA-N 0 0 289.379 2.385 10 30 CEEERN C=C(CN1c2ccc(F)cc2CCC1=O)C(=O)OCC ZINC000070381055 534427392 /nfs/dbraw/zinc/42/73/92/534427392.db2.gz RDRMTJJINLIMLM-UHFFFAOYSA-N 0 0 277.295 2.224 10 30 CEEERN CC(C)N(CCC#N)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817273 519641673 /nfs/dbraw/zinc/64/16/73/519641673.db2.gz QWKDQNDHMKBOPB-UHFFFAOYSA-N 0 0 262.313 2.301 10 30 CEEERN CC(C)N[C@@H](C#N)CCN(CC(F)(F)F)C1CC1 ZINC000062435845 519733536 /nfs/dbraw/zinc/73/35/36/519733536.db2.gz SHBKHTGMONJHKJ-SNVBAGLBSA-N 0 0 263.307 2.293 10 30 CEEERN CC(C)N[C@@](C#N)(COc1ccc2c(c1)OCO2)C1CC1 ZINC000069086410 519735819 /nfs/dbraw/zinc/73/58/19/519735819.db2.gz CEUWLYMRDDSYPK-INIZCTEOSA-N 0 0 288.347 2.464 10 30 CEEERN CC(C)N[C@H](C#N)CCOc1cccc(N(C)C)c1 ZINC000062449486 519738130 /nfs/dbraw/zinc/73/81/30/519738130.db2.gz JCOWPOPKAFGOJT-ZDUSSCGKSA-N 0 0 261.369 2.412 10 30 CEEERN CC(C)n1c(Sc2ccc(C#N)cc2)n[nH]c1=O ZINC000061595340 519923479 /nfs/dbraw/zinc/92/34/79/519923479.db2.gz FYIKAKFRQBCTRT-UHFFFAOYSA-N 0 0 260.322 2.175 10 30 CEEERN CCCN[C@@](C#N)(CN(CCOC)[C@@H](C)CC)C1CC1 ZINC000069080364 520029464 /nfs/dbraw/zinc/02/94/64/520029464.db2.gz AHKRGWRTUQVJAC-HOCLYGCPSA-N 0 0 281.444 2.405 10 30 CEEERN CCCN[C@@](C#N)(Cn1cc(Br)cn1)C1CC1 ZINC000069084357 520032363 /nfs/dbraw/zinc/03/23/63/520032363.db2.gz VZMCCSSCRYPNHX-LBPRGKRZSA-N 0 0 297.200 2.318 10 30 CEEERN CCN[C@@H](C#N)CCOc1cc(C)c([N+](=O)[O-])cc1C ZINC000062998232 520058567 /nfs/dbraw/zinc/05/85/67/520058567.db2.gz AZPMRLLVFZSWKF-GFCCVEGCSA-N 0 0 277.324 2.482 10 30 CEEERN CCCNc1ccc(S(=O)(=O)N(CC)CCC#N)cc1 ZINC000050673338 520167057 /nfs/dbraw/zinc/16/70/57/520167057.db2.gz QVCBQUVOWXIMCG-UHFFFAOYSA-N 0 0 295.408 2.433 10 30 CEEERN CCN[C@](C#N)(CN(CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080189 520223809 /nfs/dbraw/zinc/22/38/09/520223809.db2.gz OKZGVUCODKQWDZ-XJKSGUPXSA-N 0 0 279.428 2.015 10 30 CEEERN CCNc1ccc(Cl)cc1C(=O)N(CC#N)CC#N ZINC000050712212 520311676 /nfs/dbraw/zinc/31/16/76/520311676.db2.gz IWFGWLNUALQXGX-UHFFFAOYSA-N 0 0 276.727 2.261 10 30 CEEERN CC1CCC(C#N)(NC(=O)[C@H]2CCCCO2)CC1 ZINC000050963335 520911961 /nfs/dbraw/zinc/91/19/61/520911961.db2.gz IXLFMJCRQLRZLG-MBHSVXNSSA-N 0 0 250.342 2.144 10 30 CEEERN CC[N@H+](Cc1ccc(C#N)cc1F)C(C)(C)C(=O)[O-] ZINC000061176812 521299438 /nfs/dbraw/zinc/29/94/38/521299438.db2.gz UMDLQWCQRFDSFK-UHFFFAOYSA-N 0 0 264.300 2.382 10 30 CEEERN CCN(c1cccc(Cl)c1/C(N)=N/O)C1CC1 ZINC000052904238 521496416 /nfs/dbraw/zinc/49/64/16/521496416.db2.gz JNRATQMFIIQKBU-UHFFFAOYSA-N 0 0 253.733 2.423 10 30 CEEERN CC[C@@H](C)N(CCOC)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069080351 522092075 /nfs/dbraw/zinc/09/20/75/522092075.db2.gz AHMZYHZLAXQMSR-CJNGLKHVSA-N 0 0 279.428 2.158 10 30 CEEERN CNc1ncccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000051605356 522707934 /nfs/dbraw/zinc/70/79/34/522707934.db2.gz YQFKLGIIKQYSKU-UHFFFAOYSA-N 0 0 266.304 2.442 10 30 CEEERN COC(=O)CCNc1cc(C#N)c2ccccc2n1 ZINC000068770069 523100599 /nfs/dbraw/zinc/10/05/99/523100599.db2.gz OTESJGHFSMNMNV-UHFFFAOYSA-N 0 0 255.277 2.081 10 30 CEEERN COCCN(CCOC)c1c(C#N)cnc2ccccc21 ZINC000048895614 523724653 /nfs/dbraw/zinc/72/46/53/523724653.db2.gz YNYAISCCAKAQFN-UHFFFAOYSA-N 0 0 285.347 2.206 10 30 CEEERN COC(=O)[C@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000050506528 523932932 /nfs/dbraw/zinc/93/29/32/523932932.db2.gz MCDZSCZJLBQVEJ-CQSZACIVSA-N 0 0 267.288 2.279 10 30 CEEERN CO[C@H]1CCC[C@H](OC[C@](C)(C#N)NC(C)C)C1 ZINC000070333737 523983822 /nfs/dbraw/zinc/98/38/22/523983822.db2.gz JFFBBJGRNSKOOW-IHRRRGAJSA-N 0 0 254.374 2.241 10 30 CEEERN CNC(=O)[C@H]1CCCCN1[C@@H](CC#N)c1ccccc1 ZINC000055020511 524111778 /nfs/dbraw/zinc/11/17/78/524111778.db2.gz GYYNUAFQOWIHBZ-LSDHHAIUSA-N 0 0 271.364 2.242 10 30 CEEERN Cc1cc(C)c(C(=O)CN(CC#N)CC#N)cc1C ZINC000049537455 524218368 /nfs/dbraw/zinc/21/83/68/524218368.db2.gz VHMMRDLUSUJWBQ-UHFFFAOYSA-N 0 0 255.321 2.144 10 30 CEEERN C[C@H]1CC[C@@H](C(N)=O)CN1c1cccc(Cl)c1C#N ZINC000052908905 524344133 /nfs/dbraw/zinc/34/41/33/524344133.db2.gz AEORSPRFKQTQRA-VHSXEESVSA-N 0 0 277.755 2.302 10 30 CEEERN Cc1cc(SC[C@@](C)(C#N)NC(C)C)n(C)n1 ZINC000052311789 525437171 /nfs/dbraw/zinc/43/71/71/525437171.db2.gz YDBDJZQSONEPAS-GFCCVEGCSA-N 0 0 252.387 2.101 10 30 CEEERN C[C@@]1(Nc2cccc(Cl)c2C#N)CCS(=O)(=O)C1 ZINC000052908962 525875052 /nfs/dbraw/zinc/87/50/52/525875052.db2.gz GYGDTSWUMJOBPH-GFCCVEGCSA-N 0 0 284.768 2.201 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)c1cc(N)cn1C ZINC000050428741 526005179 /nfs/dbraw/zinc/00/51/79/526005179.db2.gz RNMURTWFFXMDRQ-UHFFFAOYSA-N 0 0 254.293 2.040 10 30 CEEERN Cc1nn(C[C@](C)(C#N)NC(C)C)c(C)c1Cl ZINC000050587963 526286015 /nfs/dbraw/zinc/28/60/15/526286015.db2.gz YAQZYLRHSXCFSH-LBPRGKRZSA-N 0 0 254.765 2.434 10 30 CEEERN N#CCCN(C(=O)c1ccc2nccnc2c1)C1CC1 ZINC000061415153 526453766 /nfs/dbraw/zinc/45/37/66/526453766.db2.gz NLLZHZMQJAWFKL-UHFFFAOYSA-N 0 0 266.304 2.148 10 30 CEEERN N#CCCN(Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050815922 526456083 /nfs/dbraw/zinc/45/60/83/526456083.db2.gz HTOLBBOYBNTACB-UHFFFAOYSA-N 0 0 260.297 2.055 10 30 CEEERN N#C[C@@H](C(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCO2 ZINC000050963924 526492650 /nfs/dbraw/zinc/49/26/50/526492650.db2.gz FOZALEAUUGHVTI-YPMHNXCESA-N 0 0 273.288 2.161 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1N ZINC000062823539 526499667 /nfs/dbraw/zinc/49/96/67/526499667.db2.gz DTVOBOWUVWSIHT-UFBFGSQYSA-N 0 0 263.728 2.344 10 30 CEEERN 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ZINC000008240658 170326313 /nfs/dbraw/zinc/32/63/13/170326313.db2.gz ZUECKJAVHWYLHC-AMIZOPFISA-N 0 0 270.292 2.139 10 30 CEEERN C=CCOc1ccccc1NC(=O)/C=C/C(=O)OCC ZINC000009814943 170385955 /nfs/dbraw/zinc/38/59/55/170385955.db2.gz DOZXBWVOCZLZLM-MDZDMXLPSA-N 0 0 275.304 2.309 10 30 CEEERN O=C(O/N=C/c1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000013987677 170613815 /nfs/dbraw/zinc/61/38/15/170613815.db2.gz NTHVRIUUNTYJKE-NTUHNPAUSA-N 0 0 260.205 2.379 10 30 CEEERN C=CCNC(=S)Nc1cccc(C(=O)NCCC)c1 ZINC000014569338 170638112 /nfs/dbraw/zinc/63/81/12/170638112.db2.gz ICEXTHDVDWTMRO-UHFFFAOYSA-N 0 0 277.393 2.299 10 30 CEEERN COc1cccc(COc2ccc(/C(N)=N/O)cc2)c1 ZINC000019487602 170813210 /nfs/dbraw/zinc/81/32/10/170813210.db2.gz PSGPOHUFXHVPJK-UHFFFAOYSA-N 0 0 272.304 2.369 10 30 CEEERN Cc1cccc(OCc2nnc(SCC=O)o2)c1 ZINC000019779467 170861452 /nfs/dbraw/zinc/86/14/52/170861452.db2.gz LCGAVMWTJGKPTI-UHFFFAOYSA-N 0 0 264.306 2.248 10 30 CEEERN N/C(=N\O)c1ccc(OCCOc2ccccc2)cc1 ZINC000019866231 170899453 /nfs/dbraw/zinc/89/94/53/170899453.db2.gz CYONRZJYQUHRSO-UHFFFAOYSA-N 0 0 272.304 2.239 10 30 CEEERN CCN[C@H](C#N)c1ccc(OC)c(OC(F)F)c1 ZINC000020379364 171171960 /nfs/dbraw/zinc/17/19/60/171171960.db2.gz FJWRFKIJCCSVAF-SECBINFHSA-N 0 0 256.252 2.471 10 30 CEEERN N#CCc1ccc(OCC(=O)Nc2ccccc2N)cc1 ZINC000022167412 171366174 /nfs/dbraw/zinc/36/61/74/171366174.db2.gz REPGPNPJCCBWKI-UHFFFAOYSA-N 0 0 281.315 2.352 10 30 CEEERN N#Cc1ccc(N(Cc2ccc(O)cc2)n2cnnc2)cc1 ZINC000028701905 171570309 /nfs/dbraw/zinc/57/03/09/171570309.db2.gz DOSYHCFJYXKMJO-UHFFFAOYSA-N 0 0 291.314 2.325 10 30 CEEERN CCCC1N=NC(=S)N1N=Cc1cccc(O)c1 ZINC000035418286 172190337 /nfs/dbraw/zinc/19/03/37/172190337.db2.gz KTGTYAQZFOBICT-JYRVWZFOSA-N 0 0 262.338 2.107 10 30 CEEERN N#CC1(S(=O)(=O)c2ccccc2Cl)CCOCC1 ZINC000035676710 172347154 /nfs/dbraw/zinc/34/71/54/172347154.db2.gz WBQDEPBIUWCCMV-UHFFFAOYSA-N 0 0 285.752 2.186 10 30 CEEERN CC[C@H](CC#N)Nc1ccc(S(C)(=O)=O)cc1 ZINC000036679534 172651964 /nfs/dbraw/zinc/65/19/64/172651964.db2.gz JOUQKQPXMCXQFU-SNVBAGLBSA-N 0 0 252.339 2.194 10 30 CEEERN N#Cc1ccccc1CS(=O)(=O)NCc1cccs1 ZINC000036984154 172849992 /nfs/dbraw/zinc/84/99/92/172849992.db2.gz MHQJTSAFXUWHMQ-UHFFFAOYSA-N 0 0 292.385 2.239 10 30 CEEERN N#CCCN(Cc1cccnc1)[C@@H]1CCC[C@@H]1C#N ZINC000037146573 172983853 /nfs/dbraw/zinc/98/38/53/172983853.db2.gz LSFLSPXTUDVEEU-HUUCEWRRSA-N 0 0 254.337 2.490 10 30 CEEERN Cc1ccsc1C(=O)Nc1ncc(C#CCCO)s1 ZINC000037549749 173267901 /nfs/dbraw/zinc/26/79/01/173267901.db2.gz DHNWATYXPOYTBL-UHFFFAOYSA-N 0 0 292.385 2.499 10 30 CEEERN CCCCC(=O)Nc1ncc(C#CCCO)s1 ZINC000037549674 173268058 /nfs/dbraw/zinc/26/80/58/173268058.db2.gz ZZFNQPMWEVRGCP-UHFFFAOYSA-N 0 0 252.339 2.006 10 30 CEEERN CCC[C@@H](C)N(C)C(=O)c1ccccc1C#CCO ZINC000037567956 173516710 /nfs/dbraw/zinc/51/67/10/173516710.db2.gz CYIQIQLOZREXQW-CYBMUJFWSA-N 0 0 259.349 2.291 10 30 CEEERN N#Cc1cccc(CNC(=O)c2cccc(N)c2)c1 ZINC000037748636 173671115 /nfs/dbraw/zinc/67/11/15/173671115.db2.gz KMYYMXQSVZVAJC-UHFFFAOYSA-N 0 0 251.289 2.070 10 30 CEEERN N#Cc1nc(-c2ccccn2)nnc1-c1ccccc1 ZINC000038241328 174137580 /nfs/dbraw/zinc/13/75/80/174137580.db2.gz RZWVYELQVXGBLU-UHFFFAOYSA-N 0 0 259.272 2.472 10 30 CEEERN Cc1ccc(S(=O)(=O)NC2(C#N)CCCC2)cc1 ZINC000040215412 174204215 /nfs/dbraw/zinc/20/42/15/174204215.db2.gz XGJAIUSANGYCEI-UHFFFAOYSA-N 0 0 264.350 2.110 10 30 CEEERN CNC(SC)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000040570325 174338544 /nfs/dbraw/zinc/33/85/44/174338544.db2.gz LDIWLAAPOFUWPD-UHFFFAOYSA-N 0 0 275.373 2.496 10 30 CEEERN C=CCNc1ncnc(NCc2ccccc2)c1N ZINC000040708814 174380482 /nfs/dbraw/zinc/38/04/82/174380482.db2.gz QHPVTZREDMDPOQ-UHFFFAOYSA-N 0 0 255.325 2.269 10 30 CEEERN C=CCNC(=O)CCc1cc2cccc(C)c2[nH]c1=O ZINC000041185848 174507023 /nfs/dbraw/zinc/50/70/23/174507023.db2.gz URSDOEQHFROLKT-UHFFFAOYSA-N 0 0 270.332 2.071 10 30 CEEERN CC(C)N(CC/C(N)=N/O)c1nc2ccccc2o1 ZINC000042529320 174779890 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2.247 10 30 CEEERN CNc1ccc(S(=O)(=O)N(CCC#N)CC(C)C)cc1 ZINC000050670230 522632511 /nfs/dbraw/zinc/63/25/11/522632511.db2.gz HZAXLRCAKBJPBL-UHFFFAOYSA-N 0 0 295.408 2.289 10 30 CEEERN CNc1nc(CCNC(=O)c2cccc(C#N)c2)cs1 ZINC000049717595 522682228 /nfs/dbraw/zinc/68/22/28/522682228.db2.gz POJCCBBWWREJNB-UHFFFAOYSA-N 0 0 286.360 2.029 10 30 CEEERN CCn1c(Sc2cc(Cl)ccc2C#N)n[nH]c1=O ZINC000062790324 523246562 /nfs/dbraw/zinc/24/65/62/523246562.db2.gz NFAKIAXWJPUCKM-UHFFFAOYSA-N 0 0 280.740 2.268 10 30 CEEERN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(F)cc1C#CCO ZINC000049614717 523343348 /nfs/dbraw/zinc/34/33/48/523343348.db2.gz JQMUBIWOUCBPSM-GUYCJALGSA-N 0 0 291.366 2.169 10 30 CEEERN COc1ccc(C#CCCO)cc1NC(=O)c1ccco1 ZINC000049589711 523513361 /nfs/dbraw/zinc/51/33/61/523513361.db2.gz XITBZIXPMODIHM-UHFFFAOYSA-N 0 0 285.299 2.274 10 30 CEEERN COC(=O)[C@@H](N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000054828939 523637384 /nfs/dbraw/zinc/63/73/84/523637384.db2.gz KLFCZDYMQRJDJH-MCIONIFRSA-N 0 0 258.321 2.183 10 30 CEEERN COc1ccc(C)cc1[C@@H](C#N)C(=O)[C@@H]1CCOC1 ZINC000048627116 523850577 /nfs/dbraw/zinc/85/05/77/523850577.db2.gz XPPYGNOBJHGTCY-DGCLKSJQSA-N 0 0 259.305 2.216 10 30 CEEERN COc1cccc([C@H](C#N)C(=O)[C@H]2CCCCO2)c1 ZINC000050963983 524138537 /nfs/dbraw/zinc/13/85/37/524138537.db2.gz UZYYRPVHMOSHMY-UONOGXRCSA-N 0 0 259.305 2.441 10 30 CEEERN Cc1cc(C)n(CCOc2cccc(C#CCCO)c2)n1 ZINC000049619088 524528167 /nfs/dbraw/zinc/52/81/67/524528167.db2.gz MOXTWMFZLOYQPM-UHFFFAOYSA-N 0 0 284.359 2.313 10 30 CEEERN Cc1cc(N(C)CCOCC2CC2)c(C#N)c(C)n1 ZINC000157462666 525026507 /nfs/dbraw/zinc/02/65/07/525026507.db2.gz WRJDYIAIWJTMGX-UHFFFAOYSA-N 0 0 259.353 2.433 10 30 CEEERN C[C@@H]1CSCCN1C(=O)[C@@H](C#N)c1ccccc1 ZINC000070222436 525169757 /nfs/dbraw/zinc/16/97/57/525169757.db2.gz SYOMXOALKJLGAW-YPMHNXCESA-N 0 0 260.362 2.258 10 30 CEEERN C[C@@H](NC(=O)c1ccc(C#CCO)cn1)C1CCCCC1 ZINC000061863236 525321943 /nfs/dbraw/zinc/32/19/43/525321943.db2.gz QVPHUSBDRNXNKP-CYBMUJFWSA-N 0 0 286.375 2.124 10 30 CEEERN CSCCC(=O)N[C@H](C)c1cccc(C#CCCO)c1 ZINC000049589620 525377389 /nfs/dbraw/zinc/37/73/89/525377389.db2.gz JDYRNFROMNCUOM-CYBMUJFWSA-N 0 0 291.416 2.351 10 30 CEEERN COc1cccc(CNCc2cccnc2C#N)c1 ZINC000061657619 526025888 /nfs/dbraw/zinc/02/58/88/526025888.db2.gz ARWBLAXILRJNCY-UHFFFAOYSA-N 0 0 253.305 2.252 10 30 CEEERN C[C@H](c1cccc(C#CCCO)c1)N1CCCCC1=O ZINC000049591096 526071087 /nfs/dbraw/zinc/07/10/87/526071087.db2.gz MKGGWODIOZYLOL-CQSZACIVSA-N 0 0 271.360 2.494 10 30 CEEERN C[C@H]1CC(=O)N(CCCOc2ccc(C#N)cc2)C1 ZINC000062816738 526213619 /nfs/dbraw/zinc/21/36/19/526213619.db2.gz JLBAILIUWMFXNI-LBPRGKRZSA-N 0 0 258.321 2.196 10 30 CEEERN C[C@@H](C#N)CN(C)Cc1cc2ccccc2nc1N ZINC000050815344 526237004 /nfs/dbraw/zinc/23/70/04/526237004.db2.gz IBRLZEDDABZBQH-NSHDSACASA-N 0 0 254.337 2.408 10 30 CEEERN Cc1nn(C[C@H](C#N)NC(C)C)c(C)c1Br ZINC000050594781 526285529 /nfs/dbraw/zinc/28/55/29/526285529.db2.gz DHXCSVCSLGYCBX-JTQLQIEISA-N 0 0 285.189 2.153 10 30 CEEERN N#CCCCCN1C(=O)C[C@H](c2ccccc2)C1=O ZINC000070205995 526444602 /nfs/dbraw/zinc/44/46/02/526444602.db2.gz VSJGUQXTQMSQGZ-CYBMUJFWSA-N 0 0 256.305 2.223 10 30 CEEERN N#CCCN(C(=O)c1cc(N)ccn1)c1ccccc1 ZINC000050695694 526452369 /nfs/dbraw/zinc/45/23/69/526452369.db2.gz HNNDWQLBCLSVBM-UHFFFAOYSA-N 0 0 266.304 2.224 10 30 CEEERN N#CCCN(C(=O)c1cccc(N)n1)c1ccccc1 ZINC000051068730 526453809 /nfs/dbraw/zinc/45/38/09/526453809.db2.gz RJDUEQOHEWXXCI-UHFFFAOYSA-N 0 0 266.304 2.224 10 30 CEEERN N#CCCN(c1nc(Cl)nc(Cl)n1)C1CC1 ZINC000061518865 526459553 /nfs/dbraw/zinc/45/95/53/526459553.db2.gz OVKHDHHWHCJGIU-UHFFFAOYSA-N 0 0 258.112 2.061 10 30 CEEERN N#CCN(CC#N)Cc1ccc(F)cc1Br ZINC000049595420 526470225 /nfs/dbraw/zinc/47/02/25/526470225.db2.gz VXFRETGLWUFIKO-UHFFFAOYSA-N 0 0 282.116 2.437 10 30 CEEERN N#CCc1nc2ccccc2n1C[C@@H](O)C(F)(F)F ZINC000068878320 526487068 /nfs/dbraw/zinc/48/70/68/526487068.db2.gz HJDXSPMWDSUTCR-SNVBAGLBSA-N 0 0 269.226 2.026 10 30 CEEERN N#C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000061614040 526491421 /nfs/dbraw/zinc/49/14/21/526491421.db2.gz ZCLSBTTZNOOYMV-CQSZACIVSA-N 0 0 279.299 2.031 10 30 CEEERN N#C[C@@H](Cn1cc(-c2ccccc2)cn1)NC1CC1 ZINC000054961842 526494428 /nfs/dbraw/zinc/49/44/28/526494428.db2.gz ZHJQZGSHAZEKAM-HNNXBMFYSA-N 0 0 252.321 2.194 10 30 CEEERN N#C[C@@](N)(CN1Cc2ccccc2C1)c1ccccc1 ZINC000050912106 526502760 /nfs/dbraw/zinc/50/27/60/526502760.db2.gz HHRLLFSDALPCMS-QGZVFWFLSA-N 0 0 263.344 2.380 10 30 CEEERN N#C[C@@]1(Nc2ccccc2Cl)CCCS(=O)(=O)C1 ZINC000069138919 526503693 /nfs/dbraw/zinc/50/36/93/526503693.db2.gz ZDWLPMLWPHNWFX-LBPRGKRZSA-N 0 0 284.768 2.223 10 30 CEEERN N#C[C@H](C(=O)C1CCOCC1)c1ccc2c(c1)OCO2 ZINC000061672465 526504158 /nfs/dbraw/zinc/50/41/58/526504158.db2.gz FWQOTBJYZRLNTK-LBPRGKRZSA-N 0 0 273.288 2.018 10 30 CEEERN N#Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ccn1 ZINC000068766497 526550427 /nfs/dbraw/zinc/55/04/27/526550427.db2.gz IPAAMXZZCUYZFC-LSDHHAIUSA-N 0 0 257.337 2.097 10 30 CEEERN N#Cc1cc([N+](=O)[O-])cnc1Oc1ccccc1O ZINC000050442697 526578387 /nfs/dbraw/zinc/57/83/87/526578387.db2.gz YAYBBNZJHIQCPI-UHFFFAOYSA-N 0 0 257.205 2.359 10 30 CEEERN N#Cc1ccc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000070158861 526605222 /nfs/dbraw/zinc/60/52/22/526605222.db2.gz VZNAJVJVAZITMV-CVEARBPZSA-N 0 0 284.359 2.271 10 30 CEEERN N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000069401783 526641554 /nfs/dbraw/zinc/64/15/54/526641554.db2.gz YJRQCCKZKHGQCA-IINYFYTJSA-N 0 0 276.311 2.430 10 30 CEEERN N#Cc1ccc(NC(=O)c2c[nH]c(=NN)c(Cl)c2)cc1 ZINC000051096638 526658825 /nfs/dbraw/zinc/65/88/25/526658825.db2.gz DCTUXQSBIBHCIM-UHFFFAOYSA-N 0 0 287.710 2.145 10 30 CEEERN N#Cc1ccc(OCc2cccc(C#CCO)c2)cc1 ZINC000049620443 526677772 /nfs/dbraw/zinc/67/77/72/526677772.db2.gz MJUYNXRVXHGTGN-UHFFFAOYSA-N 0 0 263.296 2.481 10 30 CEEERN N#Cc1cccc(-c2nc(C3CCCC3)n(N)c2N)c1 ZINC000052839527 526694406 /nfs/dbraw/zinc/69/44/06/526694406.db2.gz KGOIBLVXLNWLEC-UHFFFAOYSA-N 0 0 267.336 2.375 10 30 CEEERN O=C(NCc1cccc(C#CCO)c1)c1ccc(Cl)o1 ZINC000049588083 526711007 /nfs/dbraw/zinc/71/10/07/526711007.db2.gz KKVWUTGDPRSJDY-UHFFFAOYSA-N 0 0 289.718 2.207 10 30 CEEERN N#Cc1ccccc1NC(=O)c1nc(N)ccc1Cl ZINC000050698827 526744266 /nfs/dbraw/zinc/74/42/66/526744266.db2.gz GRXCLQSRLHRLIF-UHFFFAOYSA-N 0 0 272.695 2.441 10 30 CEEERN N#Cc1cnc2ccc(I)cc2c1N ZINC000050842913 526776698 /nfs/dbraw/zinc/77/66/98/526776698.db2.gz NFNXXUXLOVRNTC-UHFFFAOYSA-N 0 0 295.083 2.293 10 30 CEEERN N/C(=N/O)c1cc(Cl)ccc1-n1cc(Cl)cn1 ZINC000052860745 526802300 /nfs/dbraw/zinc/80/23/00/526802300.db2.gz ZZAFWNZFLKDUDD-UHFFFAOYSA-N 0 0 271.107 2.274 10 30 CEEERN Cc1nc(N)sc1C(=O)Nc1ccc(OCC#N)cc1 ZINC000055175097 526958382 /nfs/dbraw/zinc/95/83/82/526958382.db2.gz QJYGPWYTBDJRNY-UHFFFAOYSA-N 0 0 288.332 2.188 10 30 CEEERN OCCC#Cc1ccccc1Cn1cc(Cl)cn1 ZINC000049619488 527531107 /nfs/dbraw/zinc/53/11/07/527531107.db2.gz VEQHVRNQSIANAS-UHFFFAOYSA-N 0 0 260.724 2.319 10 30 CEEERN Cc1nn(C)c(N(C)c2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000061957481 527670359 /nfs/dbraw/zinc/67/03/59/527670359.db2.gz KFMWHLFYAZVZCU-UHFFFAOYSA-N 0 0 271.280 2.276 10 30 CEEERN COC[C@H](C)C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000175389249 622887591 /nfs/dbraw/zinc/88/75/91/622887591.db2.gz QHZKGPMGLULCSV-JSGCOSHPSA-N 0 0 261.321 2.195 10 30 CEEERN CC[C@H]1OCC[C@@H]1C(=O)N(CC#N)C1CCCC1 ZINC000234075048 623096886 /nfs/dbraw/zinc/09/68/86/623096886.db2.gz MGQGHAFPIILOMY-QWHCGFSZSA-N 0 0 250.342 2.096 10 30 CEEERN CCOC(=O)c1cnc(CC)nc1N[C@@H]1CCC[C@H]1C#N ZINC000892795762 627780682 /nfs/dbraw/zinc/78/06/82/627780682.db2.gz FVHFFYWMCAGRAO-CMPLNLGQSA-N 0 0 288.351 2.320 10 30 CEEERN Cc1nnc([C@]23CCC[C@H]2CN(c2ccncc2C#N)C3)o1 ZINC000912380680 638663852 /nfs/dbraw/zinc/66/38/52/638663852.db2.gz DIEBZRHJZBDWMD-BBRMVZONSA-N 0 0 295.346 2.203 10 30 CEEERN C=CCOCCCC(=O)O[C@@H](C)C1CCOCC1 ZINC000151464146 639311043 /nfs/dbraw/zinc/31/10/43/639311043.db2.gz TWTVHDONLZAFDH-LBPRGKRZSA-N 0 0 256.342 2.328 10 30 CEEERN C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000156597074 639362348 /nfs/dbraw/zinc/36/23/48/639362348.db2.gz MRFOWWABZADJPU-YGRLFVJLSA-N 0 0 277.295 2.344 10 30 CEEERN C=CCS(=O)(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000223423487 639423629 /nfs/dbraw/zinc/42/36/29/639423629.db2.gz XLSCJZLBSPSGOQ-UHFFFAOYSA-N 0 0 263.322 2.004 10 30 CEEERN C#CCOCCC(=O)O[C@H](C)c1ccc2c(c1)OCCO2 ZINC000165872347 639440759 /nfs/dbraw/zinc/44/07/59/639440759.db2.gz KAJOCYRLNHWRQY-GFCCVEGCSA-N 0 0 290.315 2.102 10 30 CEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc(Cl)n1 ZINC000228423524 639633844 /nfs/dbraw/zinc/63/38/44/639633844.db2.gz STFRPMNGSVZQGI-GXSJLCMTSA-N 0 0 263.728 2.466 10 30 CEEERN C#CCCOC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000170716445 639671135 /nfs/dbraw/zinc/67/11/35/639671135.db2.gz KVDGMEVGSAZGJH-ZFWWWQNUSA-N 0 0 287.359 2.398 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NCc1cnn(-c2ccccc2)n1 ZINC000061891757 639728229 /nfs/dbraw/zinc/72/82/29/639728229.db2.gz WATXLLCPJFMJDZ-WFASDCNBSA-N 0 0 267.336 2.049 10 30 CEEERN C[C@H](C#N)NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000173865600 639879794 /nfs/dbraw/zinc/87/97/94/639879794.db2.gz SBDMWXBLPZMBIA-VUHVRTRXSA-N 0 0 263.366 2.482 10 30 CEEERN CCOC1CC(CC(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000232159788 639904341 /nfs/dbraw/zinc/90/43/41/639904341.db2.gz MFWJZLLSSSBSGB-MVKMKZAISA-N 0 0 250.342 2.000 10 30 CEEERN C#C[C@@H](C)OC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000174413356 639923652 /nfs/dbraw/zinc/92/36/52/639923652.db2.gz RUNHPGDPCGXMLC-HIFRSBDPSA-N 0 0 287.359 2.314 10 30 CEEERN C[C@@H](OC(=O)c1sccc1C#N)[C@H]1CCOC1 ZINC000175239548 641317229 /nfs/dbraw/zinc/31/72/29/641317229.db2.gz QSOSNLCPJAYHJH-SCZZXKLOSA-N 0 0 251.307 2.202 10 30 CEEERN COc1ccc(C[C@H](C)OC(=O)CSCC#N)cc1 ZINC000170850692 641348356 /nfs/dbraw/zinc/34/83/56/641348356.db2.gz ZNPLFSIFYDAPAI-NSHDSACASA-N 0 0 279.361 2.426 10 30 CEEERN N#C[C@H](NC(=O)c1ccc2c(c1)CCCC2)[C@H]1CCOC1 ZINC000069587700 641566888 /nfs/dbraw/zinc/56/68/88/641566888.db2.gz BIRPFPPWSFYHAO-HOTGVXAUSA-N 0 0 284.359 2.224 10 30 CEEERN N#Cc1cnn(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1N ZINC000109093913 642580202 /nfs/dbraw/zinc/58/02/02/642580202.db2.gz PPGFZHJULWFVFX-ZJUUUORDSA-N 0 0 288.257 2.059 10 30 CEEERN C[C@H](C#N)NC(=O)/C=C/c1ccnc2ccccc12 ZINC000117769834 645924447 /nfs/dbraw/zinc/92/44/47/645924447.db2.gz WEFQOMBXTCGXLW-XUIVZRPNSA-N 0 0 251.289 2.276 10 30 CEEERN C#CC[C@H](OC(=O)[C@H]1CC[C@H](C)O1)c1ccccn1 ZINC000124208868 649467100 /nfs/dbraw/zinc/46/71/00/649467100.db2.gz IJFKLMUVBKAASL-FPMFFAJLSA-N 0 0 259.305 2.257 10 30 CEEERN O=C(C#Cc1ccccc1)NC(=O)Cc1ccc(F)cc1 ZINC000095836076 185029836 /nfs/dbraw/zinc/02/98/36/185029836.db2.gz ZPBCMBPLXDTHNK-UHFFFAOYSA-N 0 0 281.286 2.063 10 30 CEEERN CCN[C@@](C)(C#N)C[C@H](C)n1cc(Br)cn1 ZINC000082795285 178300817 /nfs/dbraw/zinc/30/08/17/178300817.db2.gz ZTWVDFSGSRTYHJ-GXSJLCMTSA-N 0 0 285.189 2.488 10 30 CEEERN CCC1(CC)CC(=O)N(c2ccc(C#N)cc2N)C1=O ZINC000096601623 185108132 /nfs/dbraw/zinc/10/81/32/185108132.db2.gz YYTCPLIUHWMCGX-UHFFFAOYSA-N 0 0 271.320 2.210 10 30 CEEERN CCOC(=O)C#Cc1c[nH]c2cncc(Br)c12 ZINC000725245616 539191580 /nfs/dbraw/zinc/19/15/80/539191580.db2.gz KRKAEFYGPKCWQQ-UHFFFAOYSA-N 0 0 293.120 2.240 10 30 CEEERN C=C(C(=O)OC)[C@H](O)c1ccc(Br)cc1 ZINC000001044377 343350874 /nfs/dbraw/zinc/35/08/74/343350874.db2.gz MWGGZHVZWMWMRW-JTQLQIEISA-N 0 0 271.110 2.212 10 30 CEEERN COc1cccc2c1CCC[C@H]2COS(C)(=O)=O ZINC000039127077 343435428 /nfs/dbraw/zinc/43/54/28/343435428.db2.gz HMSGHDKBRDQTSF-JTQLQIEISA-N 0 0 270.350 2.091 10 30 CEEERN COc1cc(C#N)ccc1OCC(=O)c1ccco1 ZINC000047820114 362224922 /nfs/dbraw/zinc/22/49/22/362224922.db2.gz ILUJSSOIKISADX-UHFFFAOYSA-N 0 0 257.245 2.422 10 30 CEEERN C=C(C)CN1c2ccc(NC(=O)C3CC3)cc2OCC1=O ZINC000012119534 136378605 /nfs/dbraw/zinc/37/86/05/136378605.db2.gz JCIQGVVOVNBRID-UHFFFAOYSA-N 0 0 286.331 2.337 10 30 CEEERN Cc1nnc(SCCOc2ccc(C#N)cc2)o1 ZINC000048402868 362267519 /nfs/dbraw/zinc/26/75/19/362267519.db2.gz FNXNVLYEVSOFSH-UHFFFAOYSA-N 0 0 261.306 2.421 10 30 CEEERN N#Cc1c(F)cccc1NCCCCn1cnnc1 ZINC000078510332 343955656 /nfs/dbraw/zinc/95/56/56/343955656.db2.gz JVTZVVIUZVGMRF-UHFFFAOYSA-N 0 0 259.288 2.181 10 30 CEEERN N#Cc1ccc2[nH]c(I)cc2n1 ZINC000095920131 344238034 /nfs/dbraw/zinc/23/80/34/344238034.db2.gz RASNXQOWEOAZRP-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN C#Cc1c[nH]c([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000115770368 344284261 /nfs/dbraw/zinc/28/42/61/344284261.db2.gz JLHWLLKYUVDIRJ-NSHDSACASA-N 0 0 261.325 2.463 10 30 CEEERN CCc1nnc(NCC[C@@H]2CCCO2)c(C#N)c1CC ZINC000124947987 344317752 /nfs/dbraw/zinc/31/77/52/344317752.db2.gz YCEZCCUADJNWPJ-NSHDSACASA-N 0 0 274.368 2.454 10 30 CEEERN C[C@@H](C#N)Oc1ccc(Br)c(CO)c1 ZINC000128899469 344338981 /nfs/dbraw/zinc/33/89/81/344338981.db2.gz PMXIKFVBMPREMK-ZETCQYMHSA-N 0 0 256.099 2.232 10 30 CEEERN N#Cc1nccc2cc(N3CCC[C@H]3CO)ccc21 ZINC000143444386 344405750 /nfs/dbraw/zinc/40/57/50/344405750.db2.gz OLJZFRUOHLWROT-ZDUSSCGKSA-N 0 0 253.305 2.068 10 30 CEEERN OC[C@H](CCOc1ccc(F)cc1)CC[C@H]1CO1 ZINC000145426308 344409218 /nfs/dbraw/zinc/40/92/18/344409218.db2.gz XKXYPXLHZKCADI-FZMZJTMJSA-N 0 0 254.301 2.382 10 30 CEEERN Cc1cc(C#N)cc(N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000161023858 344463131 /nfs/dbraw/zinc/46/31/31/344463131.db2.gz CLEZWCBZADJWAH-KBPBESRZSA-N 0 0 257.337 2.410 10 30 CEEERN C=C(C)Cn1cnc(Cl)c(Br)c1=O ZINC000166314047 344475976 /nfs/dbraw/zinc/47/59/76/344475976.db2.gz YWXURVHSGGVKNI-UHFFFAOYSA-N 0 0 263.522 2.235 10 30 CEEERN Cc1c(Br)c(CC#N)ncc1[N+](=O)[O-] ZINC000167057972 344478113 /nfs/dbraw/zinc/47/81/13/344478113.db2.gz ZAJBYEHHQHMZKU-UHFFFAOYSA-N 0 0 256.059 2.127 10 30 CEEERN N#Cc1ccc([S@@](=O)c2cc(F)cc(F)c2)cn1 ZINC000222455602 344541089 /nfs/dbraw/zinc/54/10/89/344541089.db2.gz HMGNXYKJXOTEKN-GOSISDBHSA-N 0 0 264.256 2.398 10 30 CEEERN C#C[C@H](CC)Nc1cc(Br)nc(C)n1 ZINC000230020610 344569559 /nfs/dbraw/zinc/56/95/59/344569559.db2.gz OABQNUYOESJYRZ-MRVPVSSYSA-N 0 0 254.131 2.371 10 30 CEEERN C#CC(C)(C)Oc1ncc(Br)c(OC)n1 ZINC000234931398 344588340 /nfs/dbraw/zinc/58/83/40/344588340.db2.gz OSRVWTMMTZXOGN-UHFFFAOYSA-N 0 0 271.114 2.038 10 30 CEEERN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cccc(C#N)c1 ZINC000328616811 344755586 /nfs/dbraw/zinc/75/55/86/344755586.db2.gz CBZHIANAHPQXSS-AWEZNQCLSA-N 0 0 294.358 2.089 10 30 CEEERN CC(=O)/C=C1/C(=O)Nc2ccc(Br)cc21 ZINC000584609964 344964068 /nfs/dbraw/zinc/96/40/68/344964068.db2.gz BSOBLCPCUQDEBA-RUDMXATFSA-N 0 0 266.094 2.374 10 30 CEEERN C=CCC[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1 ZINC000584608433 344964091 /nfs/dbraw/zinc/96/40/91/344964091.db2.gz RYWSGXDEYFYRBQ-LLVKDONJSA-N 0 0 255.295 2.029 10 30 CEEERN O=[N+]([O-])c1ccc(C#CC#CBr)cc1 ZINC000584613379 344965171 /nfs/dbraw/zinc/96/51/71/344965171.db2.gz MTKLBDFACRVXEV-UHFFFAOYSA-N 0 0 250.051 2.302 10 30 CEEERN CC(/C=C/[C@@](O)(c1ccccc1)C1(C#N)CC1)=C\C(N)=O ZINC000584623952 344967765 /nfs/dbraw/zinc/96/77/65/344967765.db2.gz IZKOAQBFBQQTIN-CJUDMODVSA-N 0 0 282.343 2.166 10 30 CEEERN CCOc1ncc(Br)cc1[C@]1(C#N)CCOC1 ZINC000584632538 344970034 /nfs/dbraw/zinc/97/00/34/344970034.db2.gz LPYXVDRDCIJMNH-LBPRGKRZSA-N 0 0 297.152 2.424 10 30 CEEERN C[NH+]1CCC([C@@](C#N)(Cc2ccccc2)C(=O)[O-])CC1 ZINC000584636414 344971315 /nfs/dbraw/zinc/97/13/15/344971315.db2.gz CNMMYIHTOFYWBL-INIZCTEOSA-N 0 0 272.348 2.165 10 30 CEEERN CC(/C=N/N(C)C)=C\[C@@H](C)S(=O)(=O)c1ccccc1 ZINC000584655468 344974182 /nfs/dbraw/zinc/97/41/82/344974182.db2.gz ASRLDYLICBTEGY-ZJQKUHDVSA-N 0 0 280.393 2.343 10 30 CEEERN COC(=O)c1ccc2c(c1)c(C#N)nn2[C@H]1CCCCO1 ZINC000585656135 345010330 /nfs/dbraw/zinc/01/03/30/345010330.db2.gz LFSNDVQQTTXVDW-CQSZACIVSA-N 0 0 285.303 2.394 10 30 CEEERN N#Cc1ccccc1NC(=O)C[S@@](=O)C1CCCC1 ZINC000084266770 178834682 /nfs/dbraw/zinc/83/46/82/178834682.db2.gz INUSMVHALBRUIH-IBGZPJMESA-N 0 0 276.361 2.188 10 30 CEEERN CC(C)(C)[S@@](=O)CCC(=O)Nc1ccccc1C#N ZINC000084261893 178833958 /nfs/dbraw/zinc/83/39/58/178833958.db2.gz GANOLGBJPWLFCZ-LJQANCHMSA-N 0 0 278.377 2.434 10 30 CEEERN [O-]C(=[NH+][C@@H]1CCc2ccccc21)N1CCc2cncnc2C1 ZINC000329245843 539453136 /nfs/dbraw/zinc/45/31/36/539453136.db2.gz AJNFUQJVKSAWKH-OAHLLOKOSA-N 0 0 294.358 2.436 10 30 CEEERN CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2C(C)C)C1 ZINC000329412625 539464669 /nfs/dbraw/zinc/46/46/69/539464669.db2.gz ATGWIJSKRUXXGM-YNEHKIRRSA-N 0 0 297.399 2.012 10 30 CEEERN Cc1cc(C)n2nc(Sc3ccc(C#N)cn3)nc2n1 ZINC000058621122 362634745 /nfs/dbraw/zinc/63/47/45/362634745.db2.gz JFDOMVMZJXEYGU-UHFFFAOYSA-N 0 0 282.332 2.159 10 30 CEEERN COC(=O)c1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891303 362697287 /nfs/dbraw/zinc/69/72/87/362697287.db2.gz NUSKNVVUUPUSDW-KGLIPLIRSA-N 0 0 258.321 2.255 10 30 CEEERN CCN(C(C)=O)c1nc(CN[C@H]2CCC[C@@H]2C#N)cs1 ZINC000061892027 362697696 /nfs/dbraw/zinc/69/76/96/362697696.db2.gz FDCNZQWSKOCAQC-YPMHNXCESA-N 0 0 292.408 2.298 10 30 CEEERN C=CCCCn1c(C)ncc(Br)c1=O ZINC000085464283 179070674 /nfs/dbraw/zinc/07/06/74/179070674.db2.gz FNZFQCMKYUJJEC-UHFFFAOYSA-N 0 0 257.131 2.280 10 30 CEEERN 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2.114 10 30 CEEERN CC(C)n1c2ccc(C#N)cc2nc1CS(C)(=O)=O ZINC000086636427 179315222 /nfs/dbraw/zinc/31/52/22/179315222.db2.gz HCONHYJPVBANJI-UHFFFAOYSA-N 0 0 277.349 2.033 10 30 CEEERN Cc1ccc(C#N)cc1N[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000086675795 179318799 /nfs/dbraw/zinc/31/87/99/179318799.db2.gz CCAHBVGRBUGIFH-GXTWGEPZSA-N 0 0 278.377 2.244 10 30 CEEERN Cc1ccc(C#CCO)cc1C(=O)NCCC(C)C ZINC000087745798 179479993 /nfs/dbraw/zinc/47/99/93/179479993.db2.gz FZGUFHWKWOSSFM-UHFFFAOYSA-N 0 0 259.349 2.115 10 30 CEEERN Cc1nnc(Sc2nc(C)cc(C)c2C#N)n1C ZINC000104168439 185915819 /nfs/dbraw/zinc/91/58/19/185915819.db2.gz FPSWVEIYRBYMDT-UHFFFAOYSA-N 0 0 259.338 2.158 10 30 CEEERN CC(C)(C)OC(=O)N1C[C@@H](C#Cc2ccccc2)[C@H](O)C1 ZINC000616581157 348526196 /nfs/dbraw/zinc/52/61/96/348526196.db2.gz IKKNWQRLMHZTQZ-HUUCEWRRSA-N 0 0 287.359 2.266 10 30 CEEERN CS(=O)(=O)N1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000616616365 348535117 /nfs/dbraw/zinc/53/51/17/348535117.db2.gz SRACJDWLCHOPMK-ZDUSSCGKSA-N 0 0 264.350 2.045 10 30 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CEEERN COC[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171426585 367540690 /nfs/dbraw/zinc/54/06/90/367540690.db2.gz KYRDMJUVWGBEMV-QMMMGPOBSA-N 0 0 264.350 2.329 10 30 CEEERN Cn1nccc1C1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000176370029 368230545 /nfs/dbraw/zinc/23/05/45/368230545.db2.gz DXXJLOQLOHVRSI-UHFFFAOYSA-N 0 0 293.370 2.178 10 30 CEEERN COC(=O)[C@@]1(C)CCCN1Cc1cc(C#N)ccc1OC ZINC000186395450 368968045 /nfs/dbraw/zinc/96/80/45/368968045.db2.gz WFMYUNARZNLKIA-MRXNPFEDSA-N 0 0 288.347 2.094 10 30 CEEERN C=C[C@](C)(CCOC)C(=O)N[C@@H]1COc2ccccc21 ZINC000188415518 369353097 /nfs/dbraw/zinc/35/30/97/369353097.db2.gz HDTWVYXXMKENBC-CZUORRHYSA-N 0 0 275.348 2.465 10 30 CEEERN C=CCC1(C(=O)N[C@@H]2CCCn3nc(C)nc32)CCC1 ZINC000189066291 369450869 /nfs/dbraw/zinc/45/08/69/369450869.db2.gz LEYISGNPZCIVQC-GFCCVEGCSA-N 0 0 274.368 2.284 10 30 CEEERN Cc1cnn(CCNc2cc(C#N)ccc2[N+](=O)[O-])c1 ZINC000231775466 189815340 /nfs/dbraw/zinc/81/53/40/189815340.db2.gz NOBLZRDGZQCALF-UHFFFAOYSA-N 0 0 271.280 2.084 10 30 CEEERN N#Cc1nc(NC[C@H]2CSCCS2)ccc1[N+](=O)[O-] ZINC000236422276 370588506 /nfs/dbraw/zinc/58/85/06/370588506.db2.gz WHFAVVSYSAVJFL-QMMMGPOBSA-N 0 0 296.377 2.122 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)COCc1ccccc1 ZINC000359676756 371477738 /nfs/dbraw/zinc/47/77/38/371477738.db2.gz SALFKKGSVXSTAP-KBPBESRZSA-N 0 0 258.321 2.012 10 30 CEEERN COc1c2c(c(OC)c(C(Cl)=NO)c1Cl)OCO2 ZINC000254486186 371535899 /nfs/dbraw/zinc/53/58/99/371535899.db2.gz PZZSICSLBNFUJG-UHFFFAOYSA-N 0 0 294.090 2.461 10 30 CEEERN CC(=NNc1n[nH]c(=S)[nH]1)c1ccc2c(c1)OCO2 ZINC000254861646 371540210 /nfs/dbraw/zinc/54/02/10/371540210.db2.gz BNPWHOCRDXHAPU-UHFFFAOYSA-N 0 0 277.309 2.032 10 30 CEEERN N#Cc1cnc(N2CCC(c3nccs3)CC2)cn1 ZINC000372174302 374061530 /nfs/dbraw/zinc/06/15/30/374061530.db2.gz XLPZDMVYBATREO-UHFFFAOYSA-N 0 0 271.349 2.189 10 30 CEEERN Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]32)ccc1C#N ZINC000573785576 299455153 /nfs/dbraw/zinc/45/51/53/299455153.db2.gz DKIUAXBKHPUJJE-OCCSQVGLSA-N 0 0 276.361 2.040 10 30 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CEEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCCC1 ZINC000061889864 394569066 /nfs/dbraw/zinc/56/90/66/394569066.db2.gz UAMFKENQFFEHKT-OLZOCXBDSA-N 0 0 270.398 2.178 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000061889413 394569151 /nfs/dbraw/zinc/56/91/51/394569151.db2.gz KRAUABXCWCDADH-JOYOIKCWSA-N 0 0 274.280 2.409 10 30 CEEERN N#Cc1n[nH]c2c1cccc2I ZINC000089196081 394646630 /nfs/dbraw/zinc/64/66/30/394646630.db2.gz OWSSAKZSGJGUPV-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCOc1ccc(F)cc1 ZINC000360333641 394797382 /nfs/dbraw/zinc/79/73/82/394797382.db2.gz ANNCPJPUPYSRKO-RISCZKNCSA-N 0 0 276.311 2.403 10 30 CEEERN C=C(Br)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152352335 394994073 /nfs/dbraw/zinc/99/40/73/394994073.db2.gz NENWZMPFLKOJFI-GFCCVEGCSA-N 0 0 283.169 2.443 10 30 CEEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000135171702 394963779 /nfs/dbraw/zinc/96/37/79/394963779.db2.gz FIKLXUROPBZATI-XHDPSFHLSA-N 0 0 276.384 2.394 10 30 CEEERN CC(C)CCN(CCC#N)Cc1nnc(C2CC2)n1C ZINC000173544405 395113592 /nfs/dbraw/zinc/11/35/92/395113592.db2.gz UYLXQLGSRVNLEE-UHFFFAOYSA-N 0 0 275.400 2.454 10 30 CEEERN N#CCCn1ccc(NC(=O)N[C@H]2COc3ccccc32)n1 ZINC000173337007 395112047 /nfs/dbraw/zinc/11/20/47/395112047.db2.gz XRLZFVZENYYPIG-LBPRGKRZSA-N 0 0 297.318 2.052 10 30 CEEERN CN(C)C(=O)[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000176996074 395143919 /nfs/dbraw/zinc/14/39/19/395143919.db2.gz HDAAHKWLFNWXNI-OAHLLOKOSA-N 0 0 290.794 2.244 10 30 CEEERN CC[C@@H](NC(=O)CSCC#N)c1cccc([N+](=O)[O-])c1 ZINC000177782802 395156280 /nfs/dbraw/zinc/15/62/80/395156280.db2.gz ZOCVCCSPBAOXFC-GFCCVEGCSA-N 0 0 293.348 2.419 10 30 CEEERN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)o1 ZINC000182599726 395245411 /nfs/dbraw/zinc/24/54/11/395245411.db2.gz IXZBHKHWCUFOJF-DGCLKSJQSA-N 0 0 277.368 2.247 10 30 CEEERN COC(=O)Cc1cc(F)cc(C(F)(F)F)c1C#N ZINC000575344919 395660390 /nfs/dbraw/zinc/66/03/90/395660390.db2.gz IYPMIEUYGSSKIC-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN 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CC(C)(C)N1C[C@H](C(=O)Nc2ccccc2C#N)CC1=O ZINC000021350341 171302824 /nfs/dbraw/zinc/30/28/24/171302824.db2.gz QRZBMADOCLXTAL-GFCCVEGCSA-N 0 0 285.347 2.144 10 30 CEEERN C=CCOC(=O)/C=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000021987360 171345577 /nfs/dbraw/zinc/34/55/77/171345577.db2.gz WAZVOJXJEAQSTA-ONEGZZNKSA-N 0 0 278.220 2.245 10 30 CEEERN Cc1ccc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)o1 ZINC000034882585 171890763 /nfs/dbraw/zinc/89/07/63/171890763.db2.gz QHLLVYCRDJRJLB-BNDQCTAISA-N 0 0 278.337 2.202 10 30 CEEERN COC(=O)[C@H](CC(C)C)NC(=O)Nc1cccc(C#N)c1 ZINC000035175751 172028576 /nfs/dbraw/zinc/02/85/76/172028576.db2.gz CFRTZRXNIHSUGH-ZDUSSCGKSA-N 0 0 289.335 2.267 10 30 CEEERN COC(=O)CCSCCC(=O)Nc1ccc(C#N)cc1 ZINC000035220139 172061218 /nfs/dbraw/zinc/06/12/18/172061218.db2.gz HBXFXUNJBDWTHI-UHFFFAOYSA-N 0 0 292.360 2.183 10 30 CEEERN N#CC1(S(=O)(=O)c2ccccc2Br)CC1 ZINC000035676715 172347382 /nfs/dbraw/zinc/34/73/82/172347382.db2.gz NWKGKFWXRUPIRZ-UHFFFAOYSA-N 0 0 286.150 2.279 10 30 CEEERN CN(Cc1ccsc1)Cc1ccccc1/C(N)=N/O ZINC000035719258 172373447 /nfs/dbraw/zinc/37/34/47/172373447.db2.gz URDIROIGPGSJRW-UHFFFAOYSA-N 0 0 275.377 2.475 10 30 CEEERN CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(N)cc1 ZINC000037182206 173014634 /nfs/dbraw/zinc/01/46/34/173014634.db2.gz RRGYXJNUGDLMMY-AWEZNQCLSA-N 0 0 277.393 2.415 10 30 CEEERN C[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1ccc2c(c1)OCCO2 ZINC000037348096 173144251 /nfs/dbraw/zinc/14/42/51/173144251.db2.gz OOCDAIAMTXWZFU-USWWRNFRSA-N 0 0 257.289 2.290 10 30 CEEERN COc1ccc(N)c(C(=O)N(CCC#N)C(C)C)c1 ZINC000037847022 173802170 /nfs/dbraw/zinc/80/21/70/173802170.db2.gz PBCHDIHCRHFRCB-UHFFFAOYSA-N 0 0 261.325 2.042 10 30 CEEERN C=CCNC(=O)[C@H](C)Oc1cccc2c1NCCC2 ZINC000038056342 174067547 /nfs/dbraw/zinc/06/75/47/174067547.db2.gz ZMPPHMVRWIDLTJ-NSHDSACASA-N 0 0 260.337 2.114 10 30 CEEERN C=CCOc1ccc(C=C2NC(C)=C(C(=O)OC)C2=O)cc1 ZINC000038203356 174136447 /nfs/dbraw/zinc/13/64/47/174136447.db2.gz FNIKLJXIJKVHOL-UVTDQMKNSA-N 0 0 299.326 2.212 10 30 CEEERN CC(C)(C#N)N(C1CC1)S(=O)(=O)c1cccnc1Cl ZINC000040691284 174377498 /nfs/dbraw/zinc/37/74/98/174377498.db2.gz RBOVQIIJUGZBNH-UHFFFAOYSA-N 0 0 299.783 2.190 10 30 CEEERN Cc1n[nH]c(C)c1C(=O)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000040834160 174416998 /nfs/dbraw/zinc/41/69/98/174416998.db2.gz FXRPAMMIDGYKTE-UHFFFAOYSA-N 0 0 285.263 2.059 10 30 CEEERN CCOC(=O)C(=O)[C@H](C#N)c1ccc(Br)cc1 ZINC000041485789 174561305 /nfs/dbraw/zinc/56/13/05/174561305.db2.gz QWPZOLIIUOAEFZ-SNVBAGLBSA-N 0 0 296.120 2.188 10 30 CEEERN CCN(C[C@H](C)C#N)C(=O)c1ccc(C#CCCO)s1 ZINC000042449049 174742485 /nfs/dbraw/zinc/74/24/85/174742485.db2.gz OSJDPOWCLSIBQK-GFCCVEGCSA-N 0 0 290.388 2.104 10 30 CEEERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(/C(N)=N/O)cn1 ZINC000042607761 174820367 /nfs/dbraw/zinc/82/03/67/174820367.db2.gz WQVQMZPUYFZGCT-ZYHUDNBSSA-N 0 0 262.357 2.191 10 30 CEEERN CCN(C[C@@H]1CCCO1)c1nc2c(cc1C#N)CCC2 ZINC000042804335 174882822 /nfs/dbraw/zinc/88/28/22/174882822.db2.gz RFOSZSZQLDAFHY-AWEZNQCLSA-N 0 0 271.364 2.447 10 30 CEEERN COc1cc(OC)c(C(=O)C[C@@H](C)C#N)cc1OC ZINC000043368298 175027785 /nfs/dbraw/zinc/02/77/85/175027785.db2.gz SBXJLNCEFLKSAB-SECBINFHSA-N 0 0 263.293 2.445 10 30 CEEERN Cc1nc(CN(C)c2nnc(C)c(C)c2C#N)cs1 ZINC000044609843 175216629 /nfs/dbraw/zinc/21/66/29/175216629.db2.gz QYYXVPLQQBIEKZ-UHFFFAOYSA-N 0 0 273.365 2.366 10 30 CEEERN CCC(CC)N(CCO)C(=O)C1(C#N)CCCC1 ZINC000044767022 175249591 /nfs/dbraw/zinc/24/95/91/175249591.db2.gz ZTFZWSLTFZONCW-UHFFFAOYSA-N 0 0 252.358 2.080 10 30 CEEERN C[C@@H]1CCCC[C@H]1N(C)C(=O)C1(C#N)CCOCC1 ZINC000044767126 175249643 /nfs/dbraw/zinc/24/96/43/175249643.db2.gz UQBOLDGDMSWZBW-CHWSQXEVSA-N 0 0 264.369 2.344 10 30 CEEERN COc1ccc(CCNC(=O)[C@H](C#N)C(C)C)cc1 ZINC000044809585 175257464 /nfs/dbraw/zinc/25/74/64/175257464.db2.gz DJCGYUXSIOBKNI-CQSZACIVSA-N 0 0 260.337 2.150 10 30 CEEERN Cc1cc(NC(=O)[C@H](C#N)Cc2ccccc2)n(C)n1 ZINC000044811759 175257887 /nfs/dbraw/zinc/25/78/87/175257887.db2.gz GYRJAUKBDNVXHL-ZDUSSCGKSA-N 0 0 268.320 2.050 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N(CCOC)CCOC ZINC000044824323 175259126 /nfs/dbraw/zinc/25/91/26/175259126.db2.gz AUNZJTQDXQHJCL-UHFFFAOYSA-N 0 0 284.400 2.218 10 30 CEEERN CCCNC(=O)[C@H](C)NC(=O)C(C#N)(CCC)CCC ZINC000044825359 175259279 /nfs/dbraw/zinc/25/92/79/175259279.db2.gz GCGIHJHYDXJVSU-LBPRGKRZSA-N 0 0 281.400 2.127 10 30 CEEERN CC[C@@H](C#N)C(=O)N[C@@H](C)c1sc(C)nc1C ZINC000044825760 175259320 /nfs/dbraw/zinc/25/93/20/175259320.db2.gz VPRGYRNJHRIKON-WPRPVWTQSA-N 0 0 251.355 2.487 10 30 CEEERN CCO[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccccc2)C1 ZINC000044826377 175259755 /nfs/dbraw/zinc/25/97/55/175259755.db2.gz RXBPOYVAHRDLDQ-HZPDHXFCSA-N 0 0 286.375 2.396 10 30 CEEERN CC(C)N[C@](C#N)(CN(C)C1CC1)c1ccccc1 ZINC000045180103 175323975 /nfs/dbraw/zinc/32/39/75/175323975.db2.gz VXHGALZOWPSHDU-MRXNPFEDSA-N 0 0 257.381 2.498 10 30 CEEERN CCN[C@](C)(C#N)CCN(CC(F)(F)F)C1CC1 ZINC000045181728 175324557 /nfs/dbraw/zinc/32/45/57/175324557.db2.gz OUUYCFFLOOMHQZ-NSHDSACASA-N 0 0 263.307 2.295 10 30 CEEERN 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CEEERN COC[C@H](C)C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000103688464 631746640 /nfs/dbraw/zinc/74/66/40/631746640.db2.gz FJJOKVQSAKTFPS-WCQYABFASA-N 0 0 279.311 2.334 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC000900944837 633897492 /nfs/dbraw/zinc/89/74/92/633897492.db2.gz JLLOBCHVZIFXLZ-IHRRRGAJSA-N 0 0 299.399 2.357 10 30 CEEERN CCOc1cc(C#N)ccc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000121477091 638754149 /nfs/dbraw/zinc/75/41/49/638754149.db2.gz OHUKXQHNMMJORA-GXFFZTMASA-N 0 0 275.304 2.430 10 30 CEEERN C=CCCO[C@@H](C)C(=O)O[C@@H](C)C1CCOCC1 ZINC000151410853 639291731 /nfs/dbraw/zinc/29/17/31/639291731.db2.gz VTGDQLREBBWNKR-RYUDHWBXSA-N 0 0 256.342 2.326 10 30 CEEERN N#Cc1cccc(CNC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000058576693 639518018 /nfs/dbraw/zinc/51/80/18/639518018.db2.gz JTVGPJWSADVBSP-OAHLLOKOSA-N 0 0 293.326 2.491 10 30 CEEERN C[C@H](OC(=O)c1sccc1C#N)[C@H]1CCOC1 ZINC000175239528 641317464 /nfs/dbraw/zinc/31/74/64/641317464.db2.gz QSOSNLCPJAYHJH-WPRPVWTQSA-N 0 0 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N#Cc1cc(NCCn2ccnn2)ccc1C(F)(F)F ZINC000127166556 187287568 /nfs/dbraw/zinc/28/75/68/187287568.db2.gz ZHVDBKSSDMYNED-UHFFFAOYSA-N 0 0 281.241 2.281 10 30 CEEERN COc1c(C)cc(C(=O)c2nccnc2C#N)cc1C ZINC000114865007 344281356 /nfs/dbraw/zinc/28/13/56/344281356.db2.gz GGFQKPKSNWJZKT-UHFFFAOYSA-N 0 0 267.288 2.205 10 30 CEEERN C#CC[C@@H](NN)c1ccc(Br)c(C)c1 ZINC000126615414 344325669 /nfs/dbraw/zinc/32/56/69/344325669.db2.gz NHXTTYNEOSLFIZ-LLVKDONJSA-N 0 0 253.143 2.285 10 30 CEEERN N#Cc1ccccc1Cn1c(Cl)ncc(Cl)c1=O ZINC000138174701 344388917 /nfs/dbraw/zinc/38/89/17/344388917.db2.gz QUTSQTCGELHGCG-UHFFFAOYSA-N 0 0 280.114 2.470 10 30 CEEERN C=C(C)C(=O)OCC(=O)O[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000149468624 344415015 /nfs/dbraw/zinc/41/50/15/344415015.db2.gz MAAVBOYSYHVZJK-NGZCFLSTSA-N 0 0 290.406 2.232 10 30 CEEERN N#Cc1cnn(-c2ccc(F)cc2Br)c1N ZINC000150325792 344417038 /nfs/dbraw/zinc/41/70/38/344417038.db2.gz LPUJLMMRUULLBO-UHFFFAOYSA-N 0 0 281.088 2.228 10 30 CEEERN CSC(=NC#N)Nc1cncc(Br)c1 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280.368 2.298 10 30 CEEERN N#C[C@@]1(C2(O)CCC(=O)CC2)CCOc2ccccc21 ZINC000091903783 180283322 /nfs/dbraw/zinc/28/33/22/180283322.db2.gz FCPMOXNCCIQHRD-HNNXBMFYSA-N 0 0 271.316 2.105 10 30 CEEERN COC(C[C@](C)(O)[C@@]1(C#N)CCc2ccccc2C1)OC ZINC000091904176 180283501 /nfs/dbraw/zinc/28/35/01/180283501.db2.gz RLJNVCUJOJFNCB-IRXDYDNUSA-N 0 0 289.375 2.445 10 30 CEEERN CCN(C)C(=O)N[C@@H](C)c1cccc(C#CCCO)c1 ZINC000091992315 180300330 /nfs/dbraw/zinc/30/03/30/180300330.db2.gz NMOQHGXEFUALKF-ZDUSSCGKSA-N 0 0 274.364 2.143 10 30 CEEERN C[C@H]1CN(C(=O)c2ccccc2C#CCCO)C[C@H]1C ZINC000092112191 180327445 /nfs/dbraw/zinc/32/74/45/180327445.db2.gz UOOYASVWKCLJRQ-OKILXGFUSA-N 0 0 271.360 2.149 10 30 CEEERN Cc1c(F)cc(C#N)cc1NC(=O)CC[C@@H](C)O ZINC000092152788 180335347 /nfs/dbraw/zinc/33/53/47/180335347.db2.gz SECQBULGWGHVAF-MRVPVSSYSA-N 0 0 250.273 2.105 10 30 CEEERN COCCN(CCC#N)C[C@@H]1COc2ccccc21 ZINC000092301664 180359368 /nfs/dbraw/zinc/35/93/68/180359368.db2.gz PDSRNWFEHXPTEB-CYBMUJFWSA-N 0 0 260.337 2.025 10 30 CEEERN Cc1nc(C)c(C(=O)N[C@H](C#N)c2ccccc2)o1 ZINC000092175732 180337258 /nfs/dbraw/zinc/33/72/58/180337258.db2.gz CFUYHMCWKPIELS-GFCCVEGCSA-N 0 0 255.277 2.286 10 30 CEEERN Cc1nn(C)c(C)c1CNC[C@@H](C#N)c1ccccc1 ZINC000092331181 180364583 /nfs/dbraw/zinc/36/45/83/180364583.db2.gz ZFCWAYVSYDSIMO-OAHLLOKOSA-N 0 0 268.364 2.434 10 30 CEEERN C#CCn1c(N)c(-c2cccc(OC)c2)nc1CC ZINC000106834155 186139093 /nfs/dbraw/zinc/13/90/93/186139093.db2.gz XDJOYZHIYGTJOZ-UHFFFAOYSA-N 0 0 255.321 2.337 10 30 CEEERN C=CC[N@H+](CC(=O)[O-])Cc1ccc(O)c(Cl)c1 ZINC000092468182 180392117 /nfs/dbraw/zinc/39/21/17/180392117.db2.gz BRVXUVKOJIQMJW-UHFFFAOYSA-N 0 0 255.701 2.118 10 30 CEEERN CN(c1ccc2c(c1)NC(=O)[C@H]2N)c1cccc(C#N)c1 ZINC000108691395 186227955 /nfs/dbraw/zinc/22/79/55/186227955.db2.gz HDTBFCLEWMCBSF-HNNXBMFYSA-N 0 0 278.315 2.278 10 30 CEEERN C#CCN(CCC)C(=O)CCc1ccc(OC)cc1 ZINC000108910459 186236260 /nfs/dbraw/zinc/23/62/60/186236260.db2.gz HXJGNMFKGRIYHJ-UHFFFAOYSA-N 0 0 259.349 2.500 10 30 CEEERN Cc1occc1C(=O)Nc1ccc(C)c(C#CCO)c1 ZINC000109434272 186252330 /nfs/dbraw/zinc/25/23/30/186252330.db2.gz YZBRBEGABMCUAQ-UHFFFAOYSA-N 0 0 269.300 2.493 10 30 CEEERN CC[C@H](C#N)N1CCN(Cc2cccc(OC)c2)CC1 ZINC000109454728 186253933 /nfs/dbraw/zinc/25/39/33/186253933.db2.gz QAPQLWSWKJQYIB-OAHLLOKOSA-N 0 0 273.380 2.115 10 30 CEEERN C=CCN(CC)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000110356773 186293841 /nfs/dbraw/zinc/29/38/41/186293841.db2.gz IKABOKMLCQMLPG-UHFFFAOYSA-N 0 0 252.245 2.382 10 30 CEEERN C#CCN[C@H](C#N)c1ccc(OC)c(OC)c1Cl ZINC000110830259 186327517 /nfs/dbraw/zinc/32/75/17/186327517.db2.gz XGYBAJXGSQXKOY-SNVBAGLBSA-N 0 0 264.712 2.145 10 30 CEEERN COCCN(c1ccc(F)cc1C#N)[C@H](C)COC ZINC000111036429 186347058 /nfs/dbraw/zinc/34/70/58/186347058.db2.gz RWUUIDXEFNIVGG-LLVKDONJSA-N 0 0 266.316 2.185 10 30 CEEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(N)cc1 ZINC000111280557 186388839 /nfs/dbraw/zinc/38/88/39/186388839.db2.gz XXTULNSLEYOYKX-SNVBAGLBSA-N 0 0 266.304 2.026 10 30 CEEERN C=CCOc1ccccc1CNC(=O)N[C@@H]1C[C@@H]1C ZINC000111490487 186423637 /nfs/dbraw/zinc/42/36/37/186423637.db2.gz VQKLRXMPVUEYKE-WCQYABFASA-N 0 0 260.337 2.459 10 30 CEEERN Cn1cc([C@@H]2CCCN2c2cccc(C#N)n2)cn1 ZINC000122807274 187052783 /nfs/dbraw/zinc/05/27/83/187052783.db2.gz YVCUOVOHQCNVDD-ZDUSSCGKSA-N 0 0 253.309 2.028 10 30 CEEERN C#CCCCCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000154866329 188166625 /nfs/dbraw/zinc/16/66/25/188166625.db2.gz RIGAXVSSDYSEAX-UHFFFAOYSA-N 0 0 288.395 2.113 10 30 CEEERN Cn1c(COc2cccc(F)c2C#N)nnc1C1CC1 ZINC000132083931 366117067 /nfs/dbraw/zinc/11/70/67/366117067.db2.gz UHDFPJWMMOJYNA-UHFFFAOYSA-N 0 0 272.283 2.282 10 30 CEEERN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H](C)O1 ZINC000173452990 188855123 /nfs/dbraw/zinc/85/51/23/188855123.db2.gz ZMZBEXAHDMTJHX-VXGBXAGGSA-N 0 0 298.346 2.217 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)cc(C=O)c1C#N ZINC000575390968 366267486 /nfs/dbraw/zinc/26/74/86/366267486.db2.gz MACOAPUQXPLPMR-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN CCOC(=O)c1cc(C#N)c(C=O)cc1OC(F)(F)F ZINC000575390836 366267765 /nfs/dbraw/zinc/26/77/65/366267765.db2.gz DQMLEKDUQYDKMK-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(C=O)c1C(F)(F)F ZINC000575391526 366268631 /nfs/dbraw/zinc/26/86/31/366268631.db2.gz POHRQHLSFKCFRW-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN COC(=O)c1cc(C=O)c(C(F)(F)F)cc1C#N ZINC000575391542 366268729 /nfs/dbraw/zinc/26/87/29/366268729.db2.gz QLWIBGCYQNOPAE-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C=O)cc1C(F)(F)F ZINC000575391778 366269807 /nfs/dbraw/zinc/26/98/07/366269807.db2.gz UEKHMQPQDMBQNN-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN COC(=O)Cc1cc(C#N)cc(OC(F)(F)F)c1C ZINC000575395273 366274599 /nfs/dbraw/zinc/27/45/99/366274599.db2.gz VSFSGKGTDGGVJP-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN COC(=O)c1ccc(OC(F)(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575395381 366275125 /nfs/dbraw/zinc/27/51/25/366275125.db2.gz AWTPRCFYDPXKJU-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN COC(=O)Cc1cc(OC)c(C#N)c(OC(F)(F)F)c1 ZINC000575394942 366275299 /nfs/dbraw/zinc/27/52/99/366275299.db2.gz VBQDCOWENFAIGQ-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575395988 366276800 /nfs/dbraw/zinc/27/68/00/366276800.db2.gz ZYKZITQICWBFOU-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575395969 366277203 /nfs/dbraw/zinc/27/72/03/366277203.db2.gz YTVKEJHWIMKLPC-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN COC(=O)Cc1cc(C(F)(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575395875 366277358 /nfs/dbraw/zinc/27/73/58/366277358.db2.gz UJJKUEXFKAEMBV-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN CCCn1c(C#N)nc2ccc(Br)cc2c1=O ZINC000575602087 366298292 /nfs/dbraw/zinc/29/82/92/366298292.db2.gz FVSFZIDMEWIQBS-UHFFFAOYSA-N 0 0 292.136 2.441 10 30 CEEERN CCOC(=O)Cc1c(OCC)ccc(C#N)c1OCC ZINC000575671818 366323827 /nfs/dbraw/zinc/32/38/27/366323827.db2.gz XSQOKRMBKXAUJP-UHFFFAOYSA-N 0 0 277.320 2.461 10 30 CEEERN N#Cc1sc(N2CCN3CCCC[C@H]3C2)nc1Cl ZINC000278814567 283259833 /nfs/dbraw/zinc/25/98/33/283259833.db2.gz ZYELUQUEOOIAOH-VIFPVBQESA-N 0 0 282.800 2.343 10 30 CEEERN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)CC[C@@H]1CO1 ZINC000685959654 540658709 /nfs/dbraw/zinc/65/87/09/540658709.db2.gz PAECFMWJEWXOSZ-NXEZZACHSA-N 0 0 257.330 2.038 10 30 CEEERN C=CC(=O)[C@@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F ZINC000685961268 540661101 /nfs/dbraw/zinc/66/11/01/540661101.db2.gz FMOYMHJAQIQFJI-CBAPKCEASA-N 0 0 261.268 2.148 10 30 CEEERN C=CCOCCCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177147669 189031899 /nfs/dbraw/zinc/03/18/99/189031899.db2.gz QAWNIBWOMHNSJN-OAHLLOKOSA-N 0 0 291.395 2.165 10 30 CEEERN C=CC[C@H](C)NC(=O)C1CCC(C(=O)OC)CC1 ZINC000180232447 189244771 /nfs/dbraw/zinc/24/47/71/189244771.db2.gz LVUUIIORCLZJAY-UNXYVOJBSA-N 0 0 253.342 2.047 10 30 CEEERN CC1(C)Oc2ccc(C#N)cc2[C@H](OC2=CC(=O)CC2)[C@H]1O ZINC000000004023 361116307 /nfs/dbraw/zinc/11/63/07/361116307.db2.gz WJBHHTPFTVKZCV-JKSUJKDBSA-N 0 0 299.326 2.395 10 30 CEEERN C=C(Br)Cn1c(=O)[nH]c2ccccc21 ZINC000001447035 361206688 /nfs/dbraw/zinc/20/66/88/361206688.db2.gz PETPORDVLUABTC-UHFFFAOYSA-N 0 0 253.099 2.238 10 30 CEEERN N#Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000015602167 361476761 /nfs/dbraw/zinc/47/67/61/361476761.db2.gz PKCRKOQMGPZITP-UHFFFAOYSA-N 0 0 293.282 2.141 10 30 CEEERN C[C@@H](CNc1ccc(C#N)nn1)Nc1ccccc1 ZINC000301913882 201259492 /nfs/dbraw/zinc/25/94/92/201259492.db2.gz CRMSEFNAWFKSQE-NSHDSACASA-N 0 0 253.309 2.261 10 30 CEEERN O=C(NO)c1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000028086552 361666483 /nfs/dbraw/zinc/66/64/83/361666483.db2.gz MDYLSZYFKUGXHL-UHFFFAOYSA-N 0 0 258.233 2.381 10 30 in-vivo CEEERN COc1ccc2cnn(CC#N)c2c1Br ZINC000089200570 363948451 /nfs/dbraw/zinc/94/84/51/363948451.db2.gz BOZGWECFZAYRRU-UHFFFAOYSA-N 0 0 266.098 2.331 10 30 CEEERN N#Cc1cnc2ccc(C=O)cc2c1OC1CCOCC1 ZINC000098180958 364537005 /nfs/dbraw/zinc/53/70/05/364537005.db2.gz JWHCYDZTXTVOAX-UHFFFAOYSA-N 0 0 282.299 2.477 10 30 CEEERN CC(=O)C=C(C)Nc1cc(F)c([N+](=O)[O-])cc1N ZINC000100311532 364544505 /nfs/dbraw/zinc/54/45/05/364544505.db2.gz FDEPKTCINJDAJO-UTCJRWHESA-N 0 0 253.233 2.221 10 30 CEEERN Cc1cnn(CCNc2cc(C)nc(C)c2C#N)c1 ZINC000160692577 367028180 /nfs/dbraw/zinc/02/81/80/367028180.db2.gz JMYORJOEPKVQGC-UHFFFAOYSA-N 0 0 255.325 2.187 10 30 CEEERN C/C(=N\NC(=S)Nc1ccncc1)c1ccccn1 ZINC000169320559 367369023 /nfs/dbraw/zinc/36/90/23/367369023.db2.gz WJWLEQGVNFAVTR-LICLKQGHSA-N 0 0 271.349 2.187 10 30 CEEERN C[C@H]1C[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000170882889 367440936 /nfs/dbraw/zinc/44/09/36/367440936.db2.gz GOWHYTIRYIABRM-DZGCQCFKSA-N 0 0 298.390 2.188 10 30 CEEERN CCOc1ccc(C#N)cc1NC(=O)[C@H](C)COC ZINC000171460572 367547436 /nfs/dbraw/zinc/54/74/36/367547436.db2.gz PUKGIAHRUJCWOO-SNVBAGLBSA-N 0 0 262.309 2.178 10 30 CEEERN C=CCC1(C(=O)N2CCN(CCOC)[C@H](CC)C2)CCC1 ZINC000191889878 369751482 /nfs/dbraw/zinc/75/14/82/369751482.db2.gz PSAMBRCSPUQIPC-OAHLLOKOSA-N 0 0 294.439 2.302 10 30 CEEERN Cc1cnc([C@@H](C)Nc2nccc(C#N)c2[N+](=O)[O-])o1 ZINC000226548083 370346454 /nfs/dbraw/zinc/34/64/54/370346454.db2.gz JYWPSOWSYMAMME-MRVPVSSYSA-N 0 0 273.252 2.331 10 30 CEEERN N#Cc1nc(NC(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000236415797 189833101 /nfs/dbraw/zinc/83/31/01/189833101.db2.gz FKXMQANLHZGSHH-UHFFFAOYSA-N 0 0 258.281 2.462 10 30 CEEERN CCn1ncc(N=Cc2ccccc2C)c1C(N)=O ZINC000254737324 371539328 /nfs/dbraw/zinc/53/93/28/371539328.db2.gz CBNLGJCIYDXDCV-UHFFFAOYSA-N 0 0 256.309 2.061 10 30 CEEERN C=CCSc1nc[nH]c(=O)c1I ZINC000307292746 376561994 /nfs/dbraw/zinc/56/19/94/376561994.db2.gz OESQCQHIUGKRTI-UHFFFAOYSA-N 0 0 294.117 2.065 10 30 CEEERN CN[C@@H](C#N)c1ccc(I)cc1 ZINC000306448960 376547605 /nfs/dbraw/zinc/54/76/05/376547605.db2.gz KPXRLTDGAUAXCH-VIFPVBQESA-N 0 0 272.089 2.075 10 30 CEEERN Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)cc(C#N)n1 ZINC000308268793 376578666 /nfs/dbraw/zinc/57/86/66/376578666.db2.gz DKWNWABKFQKTNH-CZUORRHYSA-N 0 0 271.364 2.393 10 30 CEEERN COC[C@@H](O)CNc1cc(C#N)c2cc(Cl)ccc2n1 ZINC000301249620 379233385 /nfs/dbraw/zinc/23/33/85/379233385.db2.gz AQZXLODMEZYFKB-NSHDSACASA-N 0 0 291.738 2.179 10 30 CEEERN C=C(C)C(=O)[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC000405529083 542271562 /nfs/dbraw/zinc/27/15/62/542271562.db2.gz ZCUWELFDEMNQOC-SNVBAGLBSA-N 0 0 271.382 2.484 10 30 CEEERN COc1cc(C(=O)/C=C/N2CC=CC2)cc(OC)c1OC ZINC000000002035 169504044 /nfs/dbraw/zinc/50/40/44/169504044.db2.gz QECAKYKTTYQVKX-RMKNXTFCSA-N 0 0 289.331 2.281 10 30 in-man CEEERN CC[C@H](NC(=O)OC(C)(C)C)C(=O)C1=COCC1 ZINC000405633372 542273004 /nfs/dbraw/zinc/27/30/04/542273004.db2.gz KKLMGIBYITYELW-JTQLQIEISA-N 0 0 255.314 2.163 10 30 CEEERN C#CCC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000405628212 542273218 /nfs/dbraw/zinc/27/32/18/542273218.db2.gz WWHWWZYRQRSLRV-QWRGUYRKSA-N 0 0 251.326 2.224 10 30 CEEERN C#CC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000405628750 542273263 /nfs/dbraw/zinc/27/32/63/542273263.db2.gz ILEVUFBIMDUHMR-UHFFFAOYSA-N 0 0 251.326 2.416 10 30 CEEERN C=C(COC)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406035160 542280311 /nfs/dbraw/zinc/28/03/11/542280311.db2.gz YCQHLWYPPUAOGV-GFCCVEGCSA-N 0 0 277.320 2.073 10 30 CEEERN C#CCC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406055942 542281178 /nfs/dbraw/zinc/28/11/78/542281178.db2.gz HBQCDYOSYRUTIO-WDEREUQCSA-N 0 0 251.326 2.272 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1CCOC[C@H]1C ZINC000044822996 184560444 /nfs/dbraw/zinc/56/04/44/184560444.db2.gz MPFIXPQSNZYACJ-GFCCVEGCSA-N 0 0 252.358 2.344 10 30 CEEERN O=[N+]([O-])c1ccccc1/C=N\S(=O)(=O)c1ccccc1 ZINC000102043275 285159938 /nfs/dbraw/zinc/15/99/38/285159938.db2.gz CSLGDERKGLHHPA-UVTDQMKNSA-N 0 0 290.300 2.403 10 30 CEEERN C#CCOc1ccccc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190387405 533198302 /nfs/dbraw/zinc/19/83/02/533198302.db2.gz JQFIBLSMZRVPNU-OLZOCXBDSA-N 0 0 273.332 2.452 10 30 CEEERN CCN(C[C@@H](C)C#N)c1ncnc2ccc(N)cc21 ZINC000081592188 177827889 /nfs/dbraw/zinc/82/78/89/177827889.db2.gz BXEDFDVFBAYBCS-JTQLQIEISA-N 0 0 255.325 2.198 10 30 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N/N=C/c1nc(-c2ccc([N+](=O)[O-])cc2)n2ccccc12 ZINC000033960837 171827861 /nfs/dbraw/zinc/82/78/61/171827861.db2.gz LZAFTSARYMSDBM-CXUHLZMHSA-N 0 0 281.275 2.202 10 30 CEEERN CCOC(=O)CSCCC(=O)Nc1cccc(C#N)c1 ZINC000035218997 172059797 /nfs/dbraw/zinc/05/97/97/172059797.db2.gz DFRJYJJEHOBMFT-UHFFFAOYSA-N 0 0 292.360 2.183 10 30 CEEERN CCOC(=O)CSCCC(=O)Nc1ccc(C#N)cc1 ZINC000035218995 172059918 /nfs/dbraw/zinc/05/99/18/172059918.db2.gz ZQQDLSREPYCUGP-UHFFFAOYSA-N 0 0 292.360 2.183 10 30 CEEERN N#C[C@H](c1ccc(Br)cc1F)N1CCOCC1 ZINC000037357036 173147491 /nfs/dbraw/zinc/14/74/91/173147491.db2.gz RYYKFPULXFZVLK-GFCCVEGCSA-N 0 0 299.143 2.485 10 30 CEEERN O=C(Nc1ccc(C#CCCO)cc1)c1ccco1 ZINC000037549934 173267735 /nfs/dbraw/zinc/26/77/35/173267735.db2.gz DDIWZISQDIZQCN-UHFFFAOYSA-N 0 0 255.273 2.266 10 30 CEEERN N#Cc1cc(N)cnc1NCCc1ccccc1F ZINC000037758881 173683422 /nfs/dbraw/zinc/68/34/22/173683422.db2.gz KTSOXYGHISCLLK-UHFFFAOYSA-N 0 0 256.284 2.329 10 30 CEEERN CC(C)CN[C@@]1(C#N)CCN(Cc2ccccc2)C1 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277843514 /nfs/dbraw/zinc/84/35/14/277843514.db2.gz RKJFOLKCMULCLZ-ZJUUUORDSA-N 0 0 265.275 2.378 10 30 CEEERN Cc1cc(N2CC[C@]3(CCOC3)C2)c(C#N)c(C)n1 ZINC000301753848 278716884 /nfs/dbraw/zinc/71/68/84/278716884.db2.gz CFCDBQGJYQIFNJ-HNNXBMFYSA-N 0 0 257.337 2.187 10 30 CEEERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCC[C@@H]2C#N)C[C@@]12CCCO2 ZINC000333549604 280048743 /nfs/dbraw/zinc/04/87/43/280048743.db2.gz FJSNDVSXODILEZ-NYTXWWLZSA-N 0 0 291.395 2.278 10 30 CEEERN Cc1ccc(C#N)c(N2CCO[C@H](c3nccs3)C2)n1 ZINC000161055081 280758394 /nfs/dbraw/zinc/75/83/94/280758394.db2.gz YVGPSLDEQZWZHR-LBPRGKRZSA-N 0 0 286.360 2.296 10 30 CEEERN CN(C)C1(C#N)CCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000335811862 289041519 /nfs/dbraw/zinc/04/15/19/289041519.db2.gz JWGAHKKCCAPUDE-CYBMUJFWSA-N 0 0 292.427 2.194 10 30 CEEERN N#Cc1cc(Br)cc(Br)n1 ZINC000072193433 294871479 /nfs/dbraw/zinc/87/14/79/294871479.db2.gz FQJIBRVPNBJCOZ-UHFFFAOYSA-N 0 0 261.904 2.478 10 30 CEEERN N#Cc1cccc(C#N)c1I ZINC000095932973 294954439 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639705592 /nfs/dbraw/zinc/70/55/92/639705592.db2.gz WDULREVIFLQPFJ-RYUDHWBXSA-N 0 0 290.315 2.138 10 30 CEEERN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000173983763 639889804 /nfs/dbraw/zinc/88/98/04/639889804.db2.gz DOJMDKHXQOBOAH-MGPQQGTHSA-N 0 0 276.380 2.436 10 30 CEEERN C#CCOCCC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000154143546 640813315 /nfs/dbraw/zinc/81/33/15/640813315.db2.gz JJKCXVDQWXYNBG-AWEZNQCLSA-N 0 0 297.358 2.089 10 30 CEEERN C=C(Cl)CN1CCN(c2nc(C)cc(OCC)n2)CC1 ZINC000155152986 641101266 /nfs/dbraw/zinc/10/12/66/641101266.db2.gz IKUJTZFTUYZJCB-UHFFFAOYSA-N 0 0 296.802 2.058 10 30 CEEERN C[C@H](OC(=O)CCc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000175275174 641319229 /nfs/dbraw/zinc/31/92/29/641319229.db2.gz DYSLMJSTYNFTNC-SWLSCSKDSA-N 0 0 273.332 2.459 10 30 CEEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000233947802 641347226 /nfs/dbraw/zinc/34/72/26/641347226.db2.gz LXMJIWARRAQIIX-AAEUAGOBSA-N 0 0 262.284 2.451 10 30 CEEERN CC(C)(C#N)COC(=O)Cn1ccc(=O)c2ccccc21 ZINC000180105775 641412271 /nfs/dbraw/zinc/41/22/71/641412271.db2.gz DXGMBZWQLKCHMZ-UHFFFAOYSA-N 0 0 284.315 2.094 10 30 CEEERN COC(=O)C1CCC(C(=O)O[C@H](C)C(C)(C)C#N)CC1 ZINC000181316165 641537838 /nfs/dbraw/zinc/53/78/38/641537838.db2.gz SITZRJDONWJLFL-VOMCLLRMSA-N 0 0 281.352 2.447 10 30 CEEERN C=CCOC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000011517214 644839308 /nfs/dbraw/zinc/83/93/08/644839308.db2.gz BFMPXFSEKUCRII-AWEZNQCLSA-N 0 0 291.347 2.179 10 30 CEEERN COc1cc(C#N)ccc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000124768191 649737857 /nfs/dbraw/zinc/73/78/57/649737857.db2.gz HXYRCPYJIUGVOI-CABZTGNLSA-N 0 0 261.277 2.040 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601276584 346810231 /nfs/dbraw/zinc/81/02/31/346810231.db2.gz NGARHWLDGJLQJE-PSASIEDQSA-N 0 0 277.255 2.156 10 30 CEEERN Cc1cc(Br)cn2cc(CC#N)nc12 ZINC000082693529 178187661 /nfs/dbraw/zinc/18/76/61/178187661.db2.gz SRSJPFBHKAZEKL-UHFFFAOYSA-N 0 0 250.099 2.471 10 30 CEEERN O=C(c1cccc(OC(F)F)c1)N1CCC(=NO)CC1 ZINC000034957521 361799989 /nfs/dbraw/zinc/79/99/89/361799989.db2.gz LOKGDGRNBSVDAG-UHFFFAOYSA-N 0 0 284.262 2.354 10 30 CEEERN C=CCOc1ccc(C(=O)N2CC[C@H](CCO)C2)cc1 ZINC000123078856 365633882 /nfs/dbraw/zinc/63/38/82/365633882.db2.gz JJCQDMCQAYFZAH-CYBMUJFWSA-N 0 0 275.348 2.096 10 30 CEEERN C=CCN(CC)C(=O)c1cc2ccccc2oc1=O ZINC000096759575 185111615 /nfs/dbraw/zinc/11/16/15/185111615.db2.gz KIHDONAODXZPBS-UHFFFAOYSA-N 0 0 257.289 2.441 10 30 CEEERN C=CCN(C(C)=O)[C@H](C)C(=O)Nc1ccccc1OC ZINC000096775289 185112479 /nfs/dbraw/zinc/11/24/79/185112479.db2.gz SYOQJHLBNFZRHD-LLVKDONJSA-N 0 0 276.336 2.057 10 30 CEEERN CC1SC(NN=Cc2ccc(F)cc2)=NC1=O ZINC000036643821 361849807 /nfs/dbraw/zinc/84/98/07/361849807.db2.gz KEFSHALWOLXMSC-AWNIVKPZSA-N 0 0 251.286 2.164 10 30 CEEERN N#Cc1cnc(N2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000125969601 187207699 /nfs/dbraw/zinc/20/76/99/187207699.db2.gz UHVUNAVHOZHAJB-JKSUJKDBSA-N 0 0 294.358 2.441 10 30 CEEERN COc1cc(C#N)ccc1CNC(=O)[C@H](C)C(C)C ZINC000725269551 539214869 /nfs/dbraw/zinc/21/48/69/539214869.db2.gz VSEIQVRMFYKQDH-LLVKDONJSA-N 0 0 260.337 2.475 10 30 CEEERN CC[C@H](NS(=O)(=O)c1ccccc1C#N)C(C)C ZINC000042593249 362104803 /nfs/dbraw/zinc/10/48/03/362104803.db2.gz LVKIMFLGLGTMCP-LBPRGKRZSA-N 0 0 266.366 2.271 10 30 CEEERN Cc1nnc(NCc2ccnc(N(C)C)c2)c(C#N)c1C ZINC000040512425 343437668 /nfs/dbraw/zinc/43/76/68/343437668.db2.gz POILRJJLNFOYNY-UHFFFAOYSA-N 0 0 282.351 2.038 10 30 CEEERN CCCCCCCOC(=S)N[C@H]1C=CS(=O)(=O)C1 ZINC000059568455 343653637 /nfs/dbraw/zinc/65/36/37/343653637.db2.gz CTGBLFIVHCVEKF-NSHDSACASA-N 0 0 291.438 2.159 10 30 CEEERN CC1CC(C#N)(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000125745339 344320016 /nfs/dbraw/zinc/32/00/16/344320016.db2.gz RMPBLWBVVSGIMH-SBEAFCBVSA-N 0 0 262.353 2.096 10 30 CEEERN CN(C)/C=C1\C(=O)c2cccnc2N(c2ccccc2)C1=O ZINC000140164208 344397233 /nfs/dbraw/zinc/39/72/33/344397233.db2.gz ARQSZROMCADJNS-SDNWHVSQSA-N 0 0 293.326 2.388 10 30 CEEERN COC(=O)c1cc(Br)cc(CC#N)c1 ZINC000150049780 344415793 /nfs/dbraw/zinc/41/57/93/344415793.db2.gz HHMMDHGCCRYVID-UHFFFAOYSA-N 0 0 254.083 2.302 10 30 CEEERN C#C[C@H](NN)c1cccc(Br)c1Cl ZINC000158116194 344450365 /nfs/dbraw/zinc/45/03/65/344450365.db2.gz POFOWMDOCXFDLD-QMMMGPOBSA-N 0 0 259.534 2.240 10 30 CEEERN CCC(C#N)(CC)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160646169 344460393 /nfs/dbraw/zinc/46/03/93/344460393.db2.gz DLWBQESJFQIAJB-XJKSGUPXSA-N 0 0 278.396 2.470 10 30 CEEERN CC(C)(C#N)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000162050855 344466285 /nfs/dbraw/zinc/46/62/85/344466285.db2.gz FHMAUTNYUNCGOC-INIZCTEOSA-N 0 0 256.349 2.462 10 30 CEEERN C#CC(=O)c1ccccc1I ZINC000168754418 344480747 /nfs/dbraw/zinc/48/07/47/344480747.db2.gz FVYFPVZXJUJSOZ-UHFFFAOYSA-N 0 0 256.042 2.107 10 30 CEEERN N#Cc1cc(F)c(F)cc1I ZINC000238601740 344607189 /nfs/dbraw/zinc/60/71/89/344607189.db2.gz KFGGTKYPSXSBNC-UHFFFAOYSA-N 0 0 265.000 2.441 10 30 CEEERN C=CCNC(=O)Nc1ncc(Br)s1 ZINC000307441101 344722724 /nfs/dbraw/zinc/72/27/24/344722724.db2.gz ZRCPUBGINXHHGC-UHFFFAOYSA-N 0 0 262.132 2.213 10 30 CEEERN C[C@@H](S)C(=O)Nc1cncc(Br)c1 ZINC000300987556 344701973 /nfs/dbraw/zinc/70/19/73/344701973.db2.gz SYVJPANVIUMAPS-RXMQYKEDSA-N 0 0 261.144 2.101 10 30 CEEERN C#C[C@@](C)(CC)Oc1nnc(Br)s1 ZINC000306455839 344713528 /nfs/dbraw/zinc/71/35/28/344713528.db2.gz PNWBZYDFCPLJRK-QMMMGPOBSA-N 0 0 261.144 2.481 10 30 CEEERN CC1(C)CCCC[C@@H]1NC(=O)C#CBr ZINC000306726500 344716916 /nfs/dbraw/zinc/71/69/16/344716916.db2.gz LZLUFKJJBUKVHB-VIFPVBQESA-N 0 0 258.159 2.427 10 30 CEEERN Cc1ccc([NH+]=C([O-])N(C)C[C@@H]2CCc3nccn3C2)nc1 ZINC000328635129 344757124 /nfs/dbraw/zinc/75/71/24/344757124.db2.gz UNLXABSXYFKEHF-ZDUSSCGKSA-N 0 0 299.378 2.326 10 30 CEEERN Cc1ccc(NC(=O)NC[C@H]2CCn3ccnc3C2)nc1 ZINC000328632789 344757185 /nfs/dbraw/zinc/75/71/85/344757185.db2.gz SERSERSCUGDMKU-LBPRGKRZSA-N 0 0 285.351 2.175 10 30 CEEERN Cc1cc(N(C)C[C@H]2CCc3nccn3C2)c(C#N)c(C)n1 ZINC000328640189 344757432 /nfs/dbraw/zinc/75/74/32/344757432.db2.gz XHPIIHHLIPNHHF-CQSZACIVSA-N 0 0 295.390 2.465 10 30 CEEERN Cc1ccc(CC(=O)NC[C@@H]2CCn3ccnc3C2)cn1 ZINC000328623447 344755571 /nfs/dbraw/zinc/75/55/71/344755571.db2.gz JECYUWHYULFDMO-CQSZACIVSA-N 0 0 284.363 2.348 10 30 CEEERN Cc1ccncc1[NH+]=C([O-])NC[C@@H]1CCc2nccn2C1 ZINC000328628945 344756095 /nfs/dbraw/zinc/75/60/95/344756095.db2.gz OFRXKLMXIJJYRY-LBPRGKRZSA-N 0 0 285.351 2.175 10 30 CEEERN N#CCC(=O)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000536951214 344933176 /nfs/dbraw/zinc/93/31/76/344933176.db2.gz RJFKXKPIGPQHNI-LBPRGKRZSA-N 0 0 260.268 2.051 10 30 CEEERN CC[C@H](C=O)[C@H](C[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000584625100 344968269 /nfs/dbraw/zinc/96/82/69/344968269.db2.gz BKARMZSEDBUKIV-SKDRFNHKSA-N 0 0 266.253 2.180 10 30 CEEERN C=CCOC(=O)NO[C@@H](C)c1ccc(O)cc1F ZINC000584655257 344974238 /nfs/dbraw/zinc/97/42/38/344974238.db2.gz OULMZUMCWARWBT-QMMMGPOBSA-N 0 0 255.245 2.436 10 30 CEEERN CN1CCN([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)CC1=O ZINC000084203592 178823834 /nfs/dbraw/zinc/82/38/34/178823834.db2.gz YAOHIUATKJTRIQ-MGPQQGTHSA-N 0 0 277.412 2.115 10 30 CEEERN COc1ccc([S@@](=O)Cc2cccnc2C#N)cc1 ZINC000084259972 178833599 /nfs/dbraw/zinc/83/35/99/178833599.db2.gz YPZIVJRDMAVSCV-LJQANCHMSA-N 0 0 272.329 2.270 10 30 CEEERN CC(C)C[S@@](=O)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000084264545 178834587 /nfs/dbraw/zinc/83/45/87/178834587.db2.gz ONAZZTPNLYHHQW-WYRIXSBYSA-N 0 0 278.377 2.290 10 30 CEEERN Cc1c(C#N)cccc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000178627318 232376383 /nfs/dbraw/zinc/37/63/83/232376383.db2.gz OGJZEKBQZGINFZ-LLVKDONJSA-N 0 0 297.314 2.217 10 30 CEEERN Cc1c(C#N)cccc1NCc1nnnn1C(C)C ZINC000179055018 232388516 /nfs/dbraw/zinc/38/85/16/232388516.db2.gz AOWGUBQDBNCTMH-UHFFFAOYSA-N 0 0 256.313 2.046 10 30 CEEERN C=C[C@H](NN)c1ccc(OC)c(Br)c1 ZINC000097753014 185660642 /nfs/dbraw/zinc/66/06/42/185660642.db2.gz PLVCBXZCJYWNHX-VIFPVBQESA-N 0 0 257.131 2.148 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1noc2ccccc21 ZINC000061888637 362694624 /nfs/dbraw/zinc/69/46/24/362694624.db2.gz GTYACOVYASAWMN-CMPLNLGQSA-N 0 0 269.304 2.179 10 30 CEEERN CC(=O)Nc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000061891121 362697260 /nfs/dbraw/zinc/69/72/60/362697260.db2.gz YLGUIYULEAKQNC-ZFWWWQNUSA-N 0 0 257.337 2.427 10 30 CEEERN COc1cc(CN[C@H]2CCC[C@H]2C#N)cc2c1OCCO2 ZINC000061892545 362697772 /nfs/dbraw/zinc/69/77/72/362697772.db2.gz ZBDMHBWAGRNJMU-STQMWFEESA-N 0 0 288.347 2.248 10 30 CEEERN COC(=O)C(=O)/C=C\c1ccc(Br)cc1 ZINC000085488200 179080802 /nfs/dbraw/zinc/08/08/02/179080802.db2.gz OEKODHJXUIKZME-DAXSKMNVSA-N 0 0 269.094 2.204 10 30 CEEERN Cc1cc(N2CC[C@]3(O)CCCC[C@H]3C2)cc(C#N)n1 ZINC000308268795 136560884 /nfs/dbraw/zinc/56/08/84/136560884.db2.gz DKWNWABKFQKTNH-XJKSGUPXSA-N 0 0 271.364 2.393 10 30 CEEERN N/C(=N\O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000019865784 136579095 /nfs/dbraw/zinc/57/90/95/136579095.db2.gz CKFRBAFXSRZGRY-UHFFFAOYSA-N 0 0 267.332 2.344 10 30 CEEERN C=CCN1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@H]1c1ccccc1 ZINC000085744237 179138924 /nfs/dbraw/zinc/13/89/24/179138924.db2.gz IGVRBYKUCLMDRX-KGLIPLIRSA-N 0 0 286.375 2.287 10 30 CEEERN C=CCN1C(=O)[C@@H](C2CCCCC2)NC(=O)[C@@]1(C)C1CC1 ZINC000085776406 179159766 /nfs/dbraw/zinc/15/97/66/179159766.db2.gz CGNIUZSVAFISPN-RHSMWYFYSA-N 0 0 290.407 2.248 10 30 CEEERN N#C[C@@]1([C@@H](O)c2ccc(Br)o2)CCOC1 ZINC000085884243 179196199 /nfs/dbraw/zinc/19/61/99/179196199.db2.gz CRHROODIGUOECC-UWVGGRQHSA-N 0 0 272.098 2.006 10 30 CEEERN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1cc(C#CCO)ccc1F ZINC000086081071 179227608 /nfs/dbraw/zinc/22/76/08/179227608.db2.gz DQXXXBQDKFGPAP-OZVIIMIRSA-N 0 0 289.350 2.334 10 30 CEEERN Cc1nn(-c2ccc(F)cc2Cl)c(N)c1C#N ZINC000604941573 347435782 /nfs/dbraw/zinc/43/57/82/347435782.db2.gz ICWGICYXUCWFND-UHFFFAOYSA-N 0 0 250.664 2.427 10 30 CEEERN O=C(Nc1cccc(C#CCCO)c1)c1ccncc1F ZINC000086316915 179269746 /nfs/dbraw/zinc/26/97/46/179269746.db2.gz RLICJIXJNPBNTK-UHFFFAOYSA-N 0 0 284.290 2.207 10 30 CEEERN Cc1ccccc1OCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000610497040 347685664 /nfs/dbraw/zinc/68/56/64/347685664.db2.gz JBBYNTMCQVMDDV-CHWSQXEVSA-N 0 0 258.321 2.182 10 30 CEEERN Cc1ccccc1OCC(=O)N[C@H]1CCC[C@H]1C#N ZINC000610497043 347685853 /nfs/dbraw/zinc/68/58/53/347685853.db2.gz JBBYNTMCQVMDDV-STQMWFEESA-N 0 0 258.321 2.182 10 30 CEEERN CCOc1cc(C#N)ccc1OC(=O)[C@H](C)COC ZINC000103360158 185832432 /nfs/dbraw/zinc/83/24/32/185832432.db2.gz RMCHYTIXSMAEMY-SNVBAGLBSA-N 0 0 263.293 2.145 10 30 CEEERN COc1ccc([C@@H](C#N)N2CCOCC2)cc1Cl ZINC000086596310 179311015 /nfs/dbraw/zinc/31/10/15/179311015.db2.gz PLSQZGSSRTYBME-GFCCVEGCSA-N 0 0 266.728 2.245 10 30 CEEERN CN[C@]1(C#N)CCC[C@H](n2cc(Br)cn2)C1 ZINC000086604087 179311022 /nfs/dbraw/zinc/31/10/22/179311022.db2.gz JJTOUKYBQJMFJN-WDEREUQCSA-N 0 0 283.173 2.242 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@@H]1Nc1ccc(CC#N)cc1 ZINC000086673660 179317599 /nfs/dbraw/zinc/31/75/99/179317599.db2.gz TXVPYTZXLPDAJX-KBPBESRZSA-N 0 0 278.377 2.130 10 30 CEEERN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H](O)C2)c1 ZINC000613411907 348041681 /nfs/dbraw/zinc/04/16/81/348041681.db2.gz ABCBISXVPPOXPL-GHMZBOCLSA-N 0 0 261.281 2.182 10 30 CEEERN N#C[C@H]1CCCN1C(=O)c1c(F)cc(F)cc1F ZINC000086996785 179377434 /nfs/dbraw/zinc/37/74/34/179377434.db2.gz ZNRWVMSPRFHFAX-MRVPVSSYSA-N 0 0 254.211 2.232 10 30 CEEERN Cc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1C#CCO ZINC000087238348 179404225 /nfs/dbraw/zinc/40/42/25/179404225.db2.gz VVPUAVKGMHDRJB-INIZCTEOSA-N 0 0 287.359 2.237 10 30 CEEERN CC(C)c1nnsc1C(=O)N(CCC#N)C(C)C ZINC000087442030 179426378 /nfs/dbraw/zinc/42/63/78/179426378.db2.gz XDWJAUOGQSSZRY-UHFFFAOYSA-N 0 0 266.370 2.426 10 30 CEEERN N#CCc1cnn(-c2ccc(Br)cc2)c1N ZINC000087579955 179450057 /nfs/dbraw/zinc/45/00/57/179450057.db2.gz MUTCADXJXCQPEH-UHFFFAOYSA-N 0 0 277.125 2.283 10 30 CEEERN CC[C@H](C#N)S(=O)(=O)NC1(C#N)CCC(CC)CC1 ZINC000088473303 179610003 /nfs/dbraw/zinc/61/00/03/179610003.db2.gz UGIIXEFFXJTXFM-OTTFEQOBSA-N 0 0 283.397 2.071 10 30 CEEERN CCC1CCC(N(C)S(=O)(=O)[C@H](C)C#N)CC1 ZINC000088476674 179610794 /nfs/dbraw/zinc/61/07/94/179610794.db2.gz GEXJHAYQMNFVEQ-VOMCLLRMSA-N 0 0 258.387 2.129 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)NC1CCC(CC)CC1 ZINC000088476771 179611351 /nfs/dbraw/zinc/61/13/51/179611351.db2.gz SZJJIPNLGWWCGC-MCIGGMRASA-N 0 0 258.387 2.177 10 30 CEEERN CC(C)n1ncnc1CN(C)c1cccc(C#N)c1 ZINC000088593100 179632546 /nfs/dbraw/zinc/63/25/46/179632546.db2.gz GEMXJHXIBFXJSP-UHFFFAOYSA-N 0 0 255.325 2.367 10 30 CEEERN CC(C)n1ncnc1CN(C)c1ccc(C#N)cc1 ZINC000088593093 179632836 /nfs/dbraw/zinc/63/28/36/179632836.db2.gz AGPZDAVMGRDGIQ-UHFFFAOYSA-N 0 0 255.325 2.367 10 30 CEEERN COCc1ccccc1Nc1c(C#N)c(C)nn1C ZINC000104314968 185964741 /nfs/dbraw/zinc/96/47/41/185964741.db2.gz SHAUSTAYAPZRIP-UHFFFAOYSA-N 0 0 256.309 2.490 10 30 CEEERN COC[C@@H](C)C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000089901563 179880315 /nfs/dbraw/zinc/88/03/15/179880315.db2.gz HRMFAOYSGMSZCF-SECBINFHSA-N 0 0 266.728 2.457 10 30 CEEERN CC(C)NC(=O)COc1cccc(Cl)c1C#N ZINC000090714058 180028780 /nfs/dbraw/zinc/02/87/80/180028780.db2.gz SITXLLFZZCJJAA-UHFFFAOYSA-N 0 0 252.701 2.115 10 30 CEEERN C#Cc1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000104458769 186006864 /nfs/dbraw/zinc/00/68/64/186006864.db2.gz XLJYWTPFLKEVEG-OKILXGFUSA-N 0 0 251.285 2.124 10 30 CEEERN COCCN(CCC#N)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898378 180058479 /nfs/dbraw/zinc/05/84/79/180058479.db2.gz JOTOYNNPQMQFHJ-OAHLLOKOSA-N 0 0 274.364 2.161 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)c1csc(CN)n1 ZINC000090931698 180065578 /nfs/dbraw/zinc/06/55/78/180065578.db2.gz NZSLPOSOHIGEID-UHFFFAOYSA-N 0 0 272.333 2.034 10 30 CEEERN C[C@@H](N)c1nc(C(=O)N(C)c2cccc(C#N)c2)cs1 ZINC000090954157 180074130 /nfs/dbraw/zinc/07/41/30/180074130.db2.gz DATCLUWHMKVILK-SECBINFHSA-N 0 0 286.360 2.311 10 30 CEEERN Cc1oc(NC(=O)CSC[C@H](C)CO)c(C#N)c1C ZINC000091256183 180114718 /nfs/dbraw/zinc/11/47/18/180114718.db2.gz DHDNFKLBEMWCAE-MRVPVSSYSA-N 0 0 282.365 2.068 10 30 CEEERN CN(C)C(=O)C[C@@H](C#N)Nc1cccc(Br)c1 ZINC000091322486 180134732 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180329713 /nfs/dbraw/zinc/32/97/13/180329713.db2.gz XHAOCSUAKOLYKE-LBPRGKRZSA-N 0 0 278.377 2.316 10 30 CEEERN O=C(CSc1ccccc1)Nc1cccc(C#CCO)n1 ZINC000092232639 180349430 /nfs/dbraw/zinc/34/94/30/180349430.db2.gz QNBWRJCAWJBVPL-UHFFFAOYSA-N 0 0 298.367 2.156 10 30 CEEERN C[C@@H](O)CCC(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000092157493 180335766 /nfs/dbraw/zinc/33/57/66/180335766.db2.gz KGJMCPFEQVNEAB-MRVPVSSYSA-N 0 0 252.701 2.311 10 30 CEEERN N#Cc1ccc(Cl)cc1NC(=O)CCCCO ZINC000092171567 180336555 /nfs/dbraw/zinc/33/65/55/180336555.db2.gz KLTGFLZCWOPUMX-UHFFFAOYSA-N 0 0 252.701 2.313 10 30 CEEERN Cc1nn(C)c(C)c1CNc1ccc(N)cc1C#N ZINC000092324856 180362502 /nfs/dbraw/zinc/36/25/02/180362502.db2.gz NCHARZLSNQUOAG-UHFFFAOYSA-N 0 0 255.325 2.103 10 30 CEEERN N#Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(F)c1 ZINC000106004792 186096221 /nfs/dbraw/zinc/09/62/21/186096221.db2.gz YNCPHAYPDXHVHS-STQMWFEESA-N 0 0 286.306 2.373 10 30 CEEERN Cc1cc(NC(=O)c2cc(C#CCO)ccc2C)ccn1 ZINC000092365919 180369081 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ZINC000109555115 186263012 /nfs/dbraw/zinc/26/30/12/186263012.db2.gz OYJXKNVZTQJTNN-CYBMUJFWSA-N 0 0 276.336 2.116 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000109445804 186253022 /nfs/dbraw/zinc/25/30/22/186253022.db2.gz JHPFMQYEVXGSPN-MRXNPFEDSA-N 0 0 285.391 2.363 10 30 CEEERN CCC[C@H](C#N)N1CCN(C(=O)C(C)(C)CC)CC1 ZINC000109447205 186253055 /nfs/dbraw/zinc/25/30/55/186253055.db2.gz UAYNSXYFGIIDGN-CYBMUJFWSA-N 0 0 265.401 2.259 10 30 CEEERN COCCN(CCC#N)c1nc2c(cc1C#N)CCCC2 ZINC000110513310 186299944 /nfs/dbraw/zinc/29/99/44/186299944.db2.gz XHQALFYXWRDGQC-UHFFFAOYSA-N 0 0 284.363 2.199 10 30 CEEERN COCCN[C@@H](C#N)c1ccc(OC)c(OC)c1Cl ZINC000110830270 186327709 /nfs/dbraw/zinc/32/77/09/186327709.db2.gz QYPXXALKRYWHDW-JTQLQIEISA-N 0 0 284.743 2.158 10 30 CEEERN C=CCCC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110878508 186330347 /nfs/dbraw/zinc/33/03/47/186330347.db2.gz RVVNFJOINNYWII-SNVBAGLBSA-N 0 0 252.339 2.009 10 30 CEEERN CCC(C)(C)NC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110950575 186335764 /nfs/dbraw/zinc/33/57/64/186335764.db2.gz BSBMDHHXJSVOCZ-UHFFFAOYSA-N 0 0 284.363 2.407 10 30 CEEERN CCCCOC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110950248 186335882 /nfs/dbraw/zinc/33/58/82/186335882.db2.gz WSECTMRABLQGJM-UHFFFAOYSA-N 0 0 271.320 2.446 10 30 CEEERN N#C[C@H](NC[C@H]1CCCO1)c1cccc(F)c1F ZINC000111040211 186347139 /nfs/dbraw/zinc/34/71/39/186347139.db2.gz GKPHPIKTAHJFDL-SKDRFNHKSA-N 0 0 252.264 2.298 10 30 CEEERN C[C@@H](NS(=O)(=O)CCCC#N)c1ccc(F)c(F)c1 ZINC000111325271 186398669 /nfs/dbraw/zinc/39/86/69/186398669.db2.gz GVAWIGBSHXXLFF-SECBINFHSA-N 0 0 288.319 2.249 10 30 CEEERN Cn1c(CN(CCC#N)CC(C)(C)C)nnc1C1CC1 ZINC000111250535 186377315 /nfs/dbraw/zinc/37/73/15/186377315.db2.gz SMBLTLLAXGTLNU-UHFFFAOYSA-N 0 0 275.400 2.454 10 30 CEEERN CN(C(=O)c1sccc1C#CCO)c1ccc(C#N)cc1 ZINC000111536238 186427083 /nfs/dbraw/zinc/42/70/83/186427083.db2.gz GBKXLWYUKMUXCL-UHFFFAOYSA-N 0 0 296.351 2.240 10 30 CEEERN C[C@H]1CCC[C@H](NC(=O)c2sccc2C#CCO)C1 ZINC000111531889 186427138 /nfs/dbraw/zinc/42/71/38/186427138.db2.gz GPNVRMAQDJXTJE-AAEUAGOBSA-N 0 0 277.389 2.400 10 30 CEEERN CCC(CC)[C@@H](C)NC(=O)c1ccc(C#CCCO)cn1 ZINC000111673833 186440353 /nfs/dbraw/zinc/44/03/53/186440353.db2.gz AUIVTYZVZWZYBT-CYBMUJFWSA-N 0 0 288.391 2.370 10 30 CEEERN CN(c1cccc(C#N)c1)c1cc(C(N)=O)ccc1N ZINC000112789518 186533014 /nfs/dbraw/zinc/53/30/14/186533014.db2.gz QTTINIQQSHTTMP-UHFFFAOYSA-N 0 0 266.304 2.007 10 30 CEEERN N#Cc1ccc(NC(=O)N[C@@H]2CCCCC[C@H]2O)cc1 ZINC000135994526 187859901 /nfs/dbraw/zinc/85/99/01/187859901.db2.gz SGTNEIWLGZNHPS-ZIAGYGMSSA-N 0 0 273.336 2.373 10 30 CEEERN CN1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C[C@@H]1C#N ZINC000329966882 282884192 /nfs/dbraw/zinc/88/41/92/282884192.db2.gz SDGKBMYOIDAJDK-YJNKXOJESA-N 0 0 290.411 2.009 10 30 CEEERN CN(C)C(=O)CCNc1ccc(Br)cc1C#N ZINC000132388750 366140300 /nfs/dbraw/zinc/14/03/00/366140300.db2.gz GHCXTBKTEGNJNG-UHFFFAOYSA-N 0 0 296.168 2.211 10 30 CEEERN CCN(/C=C/C(=O)CN(C)C(=O)OC(C)(C)C)CC ZINC000675050159 540057659 /nfs/dbraw/zinc/05/76/59/540057659.db2.gz HOJFEKXYBWZPMH-MDZDMXLPSA-N 0 0 270.373 2.278 10 30 CEEERN C#CCCC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218836958 540098531 /nfs/dbraw/zinc/09/85/31/540098531.db2.gz VZQQONCPJSWACX-NSHDSACASA-N 0 0 251.326 2.226 10 30 CEEERN C=CCOCCCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000173098000 188841526 /nfs/dbraw/zinc/84/15/26/188841526.db2.gz KBWZBTDMUBLZMW-OAHLLOKOSA-N 0 0 291.395 2.338 10 30 CEEERN COC(=O)[C@H]1O[C@]1(C)c1cc(Br)ccc1F ZINC000132280479 540161829 /nfs/dbraw/zinc/16/18/29/540161829.db2.gz SRXNYBQLSYQUOP-MWLCHTKSSA-N 0 0 289.100 2.375 10 30 CEEERN CCOC(=O)c1cc(C=O)cc(OC(F)(F)F)c1C#N ZINC000575390851 366267695 /nfs/dbraw/zinc/26/76/95/366267695.db2.gz GIIUWIYYLXINJK-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1O ZINC000575391982 366269683 /nfs/dbraw/zinc/26/96/83/366269683.db2.gz JLDFCYSMRRENQF-UHFFFAOYSA-N 0 0 259.183 2.459 10 30 CEEERN CCOC(=O)Cc1cc(O)cc(OC(F)(F)F)c1C#N ZINC000575392045 366271203 /nfs/dbraw/zinc/27/12/03/366271203.db2.gz NBHUTNSERPENJT-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN COC(=O)c1ccc(C#N)c(OC)c1C(F)(F)F ZINC000575393937 366272975 /nfs/dbraw/zinc/27/29/75/366272975.db2.gz AFRYQILKFMEYAH-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN COC(=O)Cc1c(C#N)c(OC)ccc1C(F)(F)F ZINC000575394029 366273071 /nfs/dbraw/zinc/27/30/71/366273071.db2.gz FNNOXTCXODVMMX-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1c(C(F)(F)F)ccc(C#N)c1OC ZINC000575394842 366273414 /nfs/dbraw/zinc/27/34/14/366273414.db2.gz POVYHZAWBHHXQQ-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1OC ZINC000575394377 366273593 /nfs/dbraw/zinc/27/35/93/366273593.db2.gz JFFZFYQVZDRKFE-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)c1c(OC)ccc(C(F)(F)F)c1C#N ZINC000575394393 366273718 /nfs/dbraw/zinc/27/37/18/366273718.db2.gz JXATWRXQAMKAPL-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN COC(=O)c1ccc(OC)c(C#N)c1OC(F)(F)F ZINC000575395166 366274721 /nfs/dbraw/zinc/27/47/21/366274721.db2.gz YZVCWQPYMPRBTN-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN C[C@H]1COC[C@H](C)N1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075766216 363488337 /nfs/dbraw/zinc/48/83/37/363488337.db2.gz COJQFHZRIHNNTD-RYUDHWBXSA-N 0 0 298.346 2.217 10 30 CEEERN CCOc1cc(Br)cc(CC#N)c1N ZINC000575714361 366340569 /nfs/dbraw/zinc/34/05/69/366340569.db2.gz MRSCLEUXUOADME-UHFFFAOYSA-N 0 0 255.115 2.496 10 30 CEEERN CCOc1c(N)cc(CC#N)cc1Br ZINC000575714016 366340684 /nfs/dbraw/zinc/34/06/84/366340684.db2.gz IVWAPMFBXGBKAN-UHFFFAOYSA-N 0 0 255.115 2.496 10 30 CEEERN N#CCc1ccc(I)c(F)c1O ZINC000575703347 366335605 /nfs/dbraw/zinc/33/56/05/366335605.db2.gz LUISFXCGDYTUND-UHFFFAOYSA-N 0 0 277.036 2.202 10 30 CEEERN CCOc1c(N)cc(Br)cc1CC#N ZINC000575714522 366342392 /nfs/dbraw/zinc/34/23/92/366342392.db2.gz QBVWGJRDJHSFOW-UHFFFAOYSA-N 0 0 255.115 2.496 10 30 CEEERN N#CCc1cc(N)c([N+](=O)[O-])c(Br)c1 ZINC000575715206 366343270 /nfs/dbraw/zinc/34/32/70/366343270.db2.gz WLROLYGYLVHKKO-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN N#Cc1cnc(N[C@@H]2CCCc3cc(N)ccc32)cn1 ZINC000159478676 283236185 /nfs/dbraw/zinc/23/61/85/283236185.db2.gz BJCUYMULTBIZGD-CQSZACIVSA-N 0 0 265.320 2.420 10 30 CEEERN C=CCCCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000175695021 188962641 /nfs/dbraw/zinc/96/26/41/188962641.db2.gz RUFGTABZSLGBMZ-HNNXBMFYSA-N 0 0 290.411 2.490 10 30 CEEERN C=CCCCC(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000176667982 189004063 /nfs/dbraw/zinc/00/40/63/189004063.db2.gz IDJMGTOFBQSMPE-LLVKDONJSA-N 0 0 262.357 2.148 10 30 CEEERN N#Cc1ccc(-c2ccc(OCCC(=O)NO)cc2)cc1 ZINC000000022419 361116452 /nfs/dbraw/zinc/11/64/52/361116452.db2.gz XZWFHJUEAVOHHG-UHFFFAOYSA-N 0 0 282.299 2.500 10 30 in-vivo CEEERN NC(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000244613 361151128 /nfs/dbraw/zinc/15/11/28/361151128.db2.gz XIJAAHWQLABNTE-CXUHLZMHSA-N 0 0 269.260 2.444 10 30 CEEERN C#CCOc1ccc(CN[C@H]2CCCn3nc(C)nc32)cc1 ZINC000083475905 363775511 /nfs/dbraw/zinc/77/55/11/363775511.db2.gz BTTGWTQSGRKZJP-INIZCTEOSA-N 0 0 296.374 2.223 10 30 CEEERN Oc1ccccc1/C=N/NC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000013657704 361436096 /nfs/dbraw/zinc/43/60/96/361436096.db2.gz MWDXVNLHHGFYED-ZCKLPDCYSA-N 0 0 289.404 2.379 10 30 CEEERN CC1(CCNc2ccc(F)cc2C#N)OCCO1 ZINC000302167855 201377654 /nfs/dbraw/zinc/37/76/54/201377654.db2.gz SGCXTULVJBRUCM-UHFFFAOYSA-N 0 0 250.273 2.262 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000094817905 364300617 /nfs/dbraw/zinc/30/06/17/364300617.db2.gz PUUMGJBUIGJYSK-GWCFXTLKSA-N 0 0 264.275 2.316 10 30 CEEERN C[C@H]1C[C@H](O)CN(c2ccc(Cl)cc2C#N)C1 ZINC000335239091 364671756 /nfs/dbraw/zinc/67/17/56/364671756.db2.gz QQLJUTFBSKLLIR-CABZTGNLSA-N 0 0 250.729 2.419 10 30 CEEERN Cc1nn(C)c2ncc(CN[C@H]3CCC[C@H]3C#N)cc12 ZINC000111339993 364727746 /nfs/dbraw/zinc/72/77/46/364727746.db2.gz AWIPOHZGYHCMIO-JSGCOSHPSA-N 0 0 269.352 2.059 10 30 CEEERN CCCCCCCC(=O)OCC(CC)(CO)CO ZINC000111878646 364765549 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/nfs/dbraw/zinc/81/23/97/367812397.db2.gz HROIRKWZTJKJQJ-CQSZACIVSA-N 0 0 267.336 2.300 10 30 CEEERN Cc1cnc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)o1 ZINC000226614123 370348616 /nfs/dbraw/zinc/34/86/16/370348616.db2.gz XJTZTZCZKUOOQL-LLVKDONJSA-N 0 0 269.304 2.275 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(O)ccc1Cl ZINC000236556442 370591813 /nfs/dbraw/zinc/59/18/13/370591813.db2.gz GGJGNLJWFAFDKS-PRHODGIISA-N 0 0 264.712 2.468 10 30 CEEERN N#CCS(=O)(=O)Cc1c(F)ccc2ccccc21 ZINC000390824852 375313663 /nfs/dbraw/zinc/31/36/63/375313663.db2.gz RDZCSGNIJQFTTP-UHFFFAOYSA-N 0 0 263.293 2.417 10 30 CEEERN ON=Cc1ccc(-n2ccc(C(F)(F)F)n2)nc1 ZINC000390823196 375314361 /nfs/dbraw/zinc/31/43/61/375314361.db2.gz VVEVDCQDLLWSJO-UHFFFAOYSA-N 0 0 256.187 2.094 10 30 CEEERN CCc1nnc(COc2cc(Cl)cc(C#N)c2)n1C ZINC000287678015 376291313 /nfs/dbraw/zinc/29/13/13/376291313.db2.gz YOCDUTNVVHPYRP-UHFFFAOYSA-N 0 0 276.727 2.482 10 30 CEEERN C#CCCNc1ncc(F)cc1I ZINC000307323206 376563433 /nfs/dbraw/zinc/56/34/33/376563433.db2.gz ATBYZIBKMDRMIW-UHFFFAOYSA-N 0 0 290.079 2.261 10 30 CEEERN Cc1nnc(N2CCC(c3cc[nH]n3)CC2)c(C#N)c1C ZINC000301133180 379202356 /nfs/dbraw/zinc/20/23/56/379202356.db2.gz VAWIWLVNKXCKOD-UHFFFAOYSA-N 0 0 282.351 2.072 10 30 CEEERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000301518654 379284341 /nfs/dbraw/zinc/28/43/41/379284341.db2.gz COLQZCJHAJZWGK-WQBCIRTESA-N 0 0 277.393 2.445 10 30 CEEERN C=CCO[C@H]1CCN(c2nnc(C3CC3)s2)C1 ZINC000302158657 379327011 /nfs/dbraw/zinc/32/70/11/379327011.db2.gz NLIKHKHECVOHHL-JTQLQIEISA-N 0 0 251.355 2.197 10 30 CEEERN CC1(C)CC[C@H](CNc2ccc([N+](=O)[O-])c(C#N)n2)O1 ZINC000302713612 379431677 /nfs/dbraw/zinc/43/16/77/379431677.db2.gz IQRYFKBXGRGLSZ-SECBINFHSA-N 0 0 276.296 2.231 10 30 CEEERN C[C@H](C(=O)C1=COCC1)N(C)C(=O)OC(C)(C)C ZINC000405496207 542270929 /nfs/dbraw/zinc/27/09/29/542270929.db2.gz MMYIJHIIZDZHTM-SECBINFHSA-N 0 0 255.314 2.115 10 30 CEEERN C=C(C)C(=O)[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000405529079 542271637 /nfs/dbraw/zinc/27/16/37/542271637.db2.gz ZCUWELFDEMNQOC-JTQLQIEISA-N 0 0 271.382 2.484 10 30 CEEERN C#CC(=O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405805673 542275959 /nfs/dbraw/zinc/27/59/59/542275959.db2.gz CIFQXRZGXSOARD-QWRGUYRKSA-N 0 0 251.326 2.272 10 30 CEEERN C#CCCC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000405856270 542276546 /nfs/dbraw/zinc/27/65/46/542276546.db2.gz MRIMMFLLFJHAFD-UHFFFAOYSA-N 0 0 251.326 2.416 10 30 CEEERN C#CC(=O)C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406044313 542280307 /nfs/dbraw/zinc/28/03/07/542280307.db2.gz QYUSATKFKJRLHM-QWRGUYRKSA-N 0 0 251.326 2.272 10 30 CEEERN O=C(N[C@@H]1CCC(=O)NC1)[C@H]1CCC(=O)c2cccn21 ZINC000329838158 296327665 /nfs/dbraw/zinc/32/76/65/296327665.db2.gz IPNZNTQWSQGQEF-MWLCHTKSSA-N 0 0 275.308 2.081 10 30 CEEERN C=CC[C@H](CO)NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000186695430 542311136 /nfs/dbraw/zinc/31/11/36/542311136.db2.gz JMDVEFSDLHGCBW-UKRRQHHQSA-N 0 0 292.354 2.439 10 30 CEEERN CCCCCCCOCCOCCOCCOCCO ZINC000071788560 184577430 /nfs/dbraw/zinc/57/74/30/184577430.db2.gz KFGBNEAUNSZVPZ-UHFFFAOYSA-N 0 0 292.416 2.016 10 30 CEEERN C[C@H]1CC(CNC(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000281252542 195168983 /nfs/dbraw/zinc/16/89/83/195168983.db2.gz LPZXAEURHKEUFW-RYUDHWBXSA-N 0 0 272.348 2.492 10 30 CEEERN C[C@@H]1CC(CNC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000281252543 195169480 /nfs/dbraw/zinc/16/94/80/195169480.db2.gz LPZXAEURHKEUFW-VXGBXAGGSA-N 0 0 272.348 2.492 10 30 CEEERN CCCN[C@]1(C#N)CC[C@@H](Sc2nnc(C)n2C)C1 ZINC000093807123 184724055 /nfs/dbraw/zinc/72/40/55/184724055.db2.gz IHODYGRYDODFHV-DGCLKSJQSA-N 0 0 279.413 2.030 10 30 CEEERN COc1ccccc1NC(=O)c1csc(C#CCO)c1 ZINC000093973619 184746984 /nfs/dbraw/zinc/74/69/84/184746984.db2.gz BRPOMKMDJRCGFP-UHFFFAOYSA-N 0 0 287.340 2.353 10 30 CEEERN C=CCN(CC=C)C(=O)c1c(F)ccc(N)c1F ZINC000094189497 184760591 /nfs/dbraw/zinc/76/05/91/184760591.db2.gz HQUGLTXJVUSXKN-UHFFFAOYSA-N 0 0 252.264 2.361 10 30 CEEERN Cc1cc(=O)cc(C)n1-c1ccc(OCC#N)cc1 ZINC000094350723 184787041 /nfs/dbraw/zinc/78/70/41/184787041.db2.gz PMQCHPYPWSPEAS-UHFFFAOYSA-N 0 0 254.289 2.357 10 30 CEEERN N#Cc1cccc(O[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000094375789 184791095 /nfs/dbraw/zinc/79/10/95/184791095.db2.gz XZRGNFBAZKUHQX-LSDHHAIUSA-N 0 0 259.305 2.275 10 30 CEEERN C[C@@]1(C(=O)[C@@H](C#N)c2ccc3c(c2)OCO3)CCCO1 ZINC000094789614 184864406 /nfs/dbraw/zinc/86/44/06/184864406.db2.gz SFKAZAVYCBWLDP-NHYWBVRUSA-N 0 0 273.288 2.161 10 30 CEEERN N#Cc1cccc(C(=O)N2CCc3ccc(N)cc3C2)c1 ZINC000094790471 184864459 /nfs/dbraw/zinc/86/44/59/184864459.db2.gz NAWQMGUUAUTZEW-UHFFFAOYSA-N 0 0 277.327 2.339 10 30 CEEERN C[C@@]1(C(=O)[C@@H](C#N)c2ccc3c(c2)OCCO3)CCCO1 ZINC000094789626 184864990 /nfs/dbraw/zinc/86/49/90/184864990.db2.gz GVMJLIIYKYYLTO-LRDDRELGSA-N 0 0 287.315 2.203 10 30 CEEERN C=C(C)CN(CC)S(=O)(=O)c1cc(N)c(C)cc1OC ZINC000094512240 184812878 /nfs/dbraw/zinc/81/28/78/184812878.db2.gz JHMRPJIKNHTBOT-UHFFFAOYSA-N 0 0 298.408 2.173 10 30 CEEERN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccccc2C#N)C1 ZINC000094634968 184830359 /nfs/dbraw/zinc/83/03/59/184830359.db2.gz VXDAFBVXWOBNRI-QWHCGFSZSA-N 0 0 278.377 2.326 10 30 CEEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000189671318 130007221 /nfs/dbraw/zinc/00/72/21/130007221.db2.gz ABNFVYULCCLKOK-NSHDSACASA-N 0 0 299.396 2.236 10 30 CEEERN CCn1cc([C@H]2CN(Cc3ccccc3C#N)CCO2)cn1 ZINC000191707133 130280812 /nfs/dbraw/zinc/28/08/12/130280812.db2.gz IATNIAIQBLVCKD-QGZVFWFLSA-N 0 0 296.374 2.348 10 30 CEEERN CC[C@H](C#N)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000093396491 135080387 /nfs/dbraw/zinc/08/03/87/135080387.db2.gz MJGXJXIRADOBEP-GFCCVEGCSA-N 0 0 272.327 2.122 10 30 CEEERN C=CCO[C@H]1CCN(c2ncc(C#N)cc2Cl)C1 ZINC000302087902 394472276 /nfs/dbraw/zinc/47/22/76/394472276.db2.gz AFOCDJSSBCPKJC-NSHDSACASA-N 0 0 263.728 2.388 10 30 CEEERN CC(=O)C1=Cc2cc(Cl)ccc2O[C@H]1N1CCOCC1 ZINC000033901227 394492263 /nfs/dbraw/zinc/49/22/63/394492263.db2.gz GBRJDRVCPKCMBI-OAHLLOKOSA-N 0 0 293.750 2.363 10 30 CEEERN O=C(CCCS)Nc1cncc(Br)c1 ZINC000306480423 394516027 /nfs/dbraw/zinc/51/60/27/394516027.db2.gz CGEXYQUFIWOFBG-UHFFFAOYSA-N 0 0 275.171 2.493 10 30 CEEERN CON=C1CCc2cc([C@@H](O)[C@@H](O)c3ccncc3)ccc21 ZINC000255967767 394594828 /nfs/dbraw/zinc/59/48/28/394594828.db2.gz CSJXMGWIFCRNGY-DLBZAZTESA-N 0 0 298.342 2.145 10 30 CEEERN C[C@@H]1C[C@@H](O)CN(c2cc(Cl)ccc2C#N)C1 ZINC000335239211 394752039 /nfs/dbraw/zinc/75/20/39/394752039.db2.gz RVKFPWDNXCCJNI-BXKDBHETSA-N 0 0 250.729 2.419 10 30 CEEERN COc1cccc(CCC(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000359678591 394771411 /nfs/dbraw/zinc/77/14/11/394771411.db2.gz PWVKBWZZCBSPEW-ZFWWWQNUSA-N 0 0 272.348 2.436 10 30 CEEERN CC[C@@H](C#N)NC(=O)c1ccccc1NC(=O)NC(C)C ZINC000123605063 394830264 /nfs/dbraw/zinc/83/02/64/394830264.db2.gz NQRZQJNDTOGUDQ-NSHDSACASA-N 0 0 288.351 2.248 10 30 CEEERN C#CCOCCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000153980487 395020386 /nfs/dbraw/zinc/02/03/86/395020386.db2.gz DYSYASZTXYNPLO-ZDUSSCGKSA-N 0 0 292.404 2.197 10 30 CEEERN Cc1cc(NCC[C@H](C)[S@@](C)=O)c(C#N)c(C)n1 ZINC000158086258 395037841 /nfs/dbraw/zinc/03/78/41/395037841.db2.gz DOHFRJIQCLKCAK-YPMLDQLKSA-N 0 0 265.382 2.139 10 30 CEEERN C[C@H](C#N)CNC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000182360808 395240375 /nfs/dbraw/zinc/24/03/75/395240375.db2.gz KAUICPMWMHEFPH-UIBFTYAWSA-N 0 0 261.369 2.270 10 30 CEEERN Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2CCC[C@H]21 ZINC000531655272 395459317 /nfs/dbraw/zinc/45/93/17/395459317.db2.gz JQLXWHLJCNVYCF-CHWSQXEVSA-N 0 0 276.361 2.040 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000195267515 395463019 /nfs/dbraw/zinc/46/30/19/395463019.db2.gz HFYDZDGBCQQNHN-LLVKDONJSA-N 0 0 297.314 2.217 10 30 CEEERN COC(=O)Cc1c(C(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575344251 395660361 /nfs/dbraw/zinc/66/03/61/395660361.db2.gz YJUKXLDFMAXATG-UHFFFAOYSA-N 0 0 270.191 2.120 10 30 CEEERN COC(=O)c1c(C(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575343943 395660375 /nfs/dbraw/zinc/66/03/75/395660375.db2.gz KLJTTYHTWZBFCF-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(Cl)c1C#N ZINC000575382821 395662304 /nfs/dbraw/zinc/66/23/04/395662304.db2.gz BXUAQGIDPDYYHW-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1cc(OC)cc(Cl)c1C#N ZINC000575382804 395662371 /nfs/dbraw/zinc/66/23/71/395662371.db2.gz WFPKYIHKPCVGOR-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(C=O)c1Cl ZINC000575382707 395662376 /nfs/dbraw/zinc/66/23/76/395662376.db2.gz HZANFJFBVWCRBM-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(Br)cc1OC ZINC000575382997 395662595 /nfs/dbraw/zinc/66/25/95/395662595.db2.gz IAZRHYGTXLVRIU-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)c(C#N)cc1F ZINC000575385711 395662868 /nfs/dbraw/zinc/66/28/68/395662868.db2.gz GHLDQSSEJSGLNV-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1c(C#N)cc(OC(F)F)cc1C=O ZINC000575385702 395662871 /nfs/dbraw/zinc/66/28/71/395662871.db2.gz FKDCBYLYMDITFC-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN COC(=O)Cc1c(F)ccc(C#N)c1OC(F)F ZINC000575386032 395662899 /nfs/dbraw/zinc/66/28/99/395662899.db2.gz VNNQOKHXEGRSLK-UHFFFAOYSA-N 0 0 259.183 2.014 10 30 CEEERN CCOC(=O)c1ccc(OC(F)F)c(C#N)c1O ZINC000575385826 395662908 /nfs/dbraw/zinc/66/29/08/395662908.db2.gz NVLMBEOFCUAOAE-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(OC(F)F)c(C=O)c1 ZINC000575385994 395662952 /nfs/dbraw/zinc/66/29/52/395662952.db2.gz SHEUYIYOQFNUFM-UHFFFAOYSA-N 0 0 283.230 2.078 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(O)c1OC(F)F ZINC000575385983 395663046 /nfs/dbraw/zinc/66/30/46/395663046.db2.gz RPZWTRUWQMLYIC-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)c1ccc(F)c(C#N)c1OC(F)F ZINC000575385948 395663053 /nfs/dbraw/zinc/66/30/53/395663053.db2.gz PIRKZOFHZZEKIG-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)Cc1c(CO)cc(C#N)cc1C(F)F ZINC000575387451 395663206 /nfs/dbraw/zinc/66/32/06/395663206.db2.gz GRBFMWUUCUNPTI-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(C=O)cc1C(F)F ZINC000575387606 395663405 /nfs/dbraw/zinc/66/34/05/395663405.db2.gz JTBMRDIRQUURFU-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)c1c(OC)ccc(OC(F)F)c1C#N ZINC000575388437 395663577 /nfs/dbraw/zinc/66/35/77/395663577.db2.gz IPOINFKIYIFYAT-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C)cc1OC(F)F ZINC000575388493 395663586 /nfs/dbraw/zinc/66/35/86/395663586.db2.gz VYNUEXMYDZYAEV-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)Cc1cc(OC)c(C#N)cc1OC(F)F ZINC000575388416 395663672 /nfs/dbraw/zinc/66/36/72/395663672.db2.gz IDKIRCTVCOSQHL-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1CC ZINC000575388717 395663850 /nfs/dbraw/zinc/66/38/50/395663850.db2.gz ALGFRFIBSCTBGA-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN CCOC(=O)c1c(C=O)c(C#N)ccc1C(F)F ZINC000575389354 395664051 /nfs/dbraw/zinc/66/40/51/395664051.db2.gz BGYHSOBZJFXMBY-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN C=CCCCCCN(C)Cc1nnnn1C(C)C ZINC000150896191 400281408 /nfs/dbraw/zinc/28/14/08/400281408.db2.gz ZFIDDMZFBOQTSK-UHFFFAOYSA-N 0 0 251.378 2.432 10 30 CEEERN C#C[C@](C)(CC)Oc1cc(Br)ncn1 ZINC000306335145 400332648 /nfs/dbraw/zinc/33/26/48/400332648.db2.gz GGRMVGCMTPCMTA-SNVBAGLBSA-N 0 0 255.115 2.420 10 30 CEEERN C=C1CN(c2ccc(I)cc2N)C1 ZINC000575469354 400610733 /nfs/dbraw/zinc/61/07/33/400610733.db2.gz LGLNQYUVUVMUOZ-UHFFFAOYSA-N 0 0 286.116 2.250 10 30 CEEERN N#Cc1cnccc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000364906174 156069018 /nfs/dbraw/zinc/06/90/18/156069018.db2.gz KEMGMMXJQINXFG-ZFWWWQNUSA-N 0 0 257.337 2.085 10 30 CEEERN COc1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1 ZINC000005393877 170094468 /nfs/dbraw/zinc/09/44/68/170094468.db2.gz GPVZQQQREUBVIL-LFIBNONCSA-N 0 0 294.318 2.308 10 30 CEEERN CC1(C)CC[C@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)O1 ZINC000005574558 170115438 /nfs/dbraw/zinc/11/54/38/170115438.db2.gz ALRXDRQNAJOPCP-GFCCVEGCSA-N 0 0 288.299 2.361 10 30 biogenic,in-vitro CEEERN CC(=NNc1nnc(SCC#N)[nH]1)c1ccccc1 ZINC000006212613 170183077 /nfs/dbraw/zinc/18/30/77/170183077.db2.gz UWHJTIQMBWACNN-DHDCSXOGSA-N 0 0 272.337 2.256 10 30 CEEERN CCSc1ccccc1C(=O)N(CC#N)CC#N ZINC000006439952 170201335 /nfs/dbraw/zinc/20/13/35/170201335.db2.gz KIDWGURKZFCHIZ-UHFFFAOYSA-N 0 0 259.334 2.288 10 30 CEEERN O=c1[nH]ncc(NN=Cc2cc(Cl)ccc2O)c1Cl ZINC000007031172 170262959 /nfs/dbraw/zinc/26/29/59/170262959.db2.gz DDOVUKJAYJIVPI-LNKIKWGQSA-N 0 0 299.117 2.228 10 30 CEEERN CCC(CC)c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1 ZINC000007260838 170273986 /nfs/dbraw/zinc/27/39/86/170273986.db2.gz MAPDNLAHVORUGR-UHFFFAOYSA-N 0 0 290.367 2.152 10 30 CEEERN CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1Cl ZINC000007857668 170305620 /nfs/dbraw/zinc/30/56/20/170305620.db2.gz ONHLZFFAUJSQBA-QMMMGPOBSA-N 0 0 252.701 2.115 10 30 CEEERN CCCCNC(=S)N/N=C/c1ccccc1F ZINC000008692130 170345834 /nfs/dbraw/zinc/34/58/34/170345834.db2.gz IRLFCKFNNDZJQF-OQLLNIDSSA-N 0 0 253.346 2.424 10 30 CEEERN N#Cc1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000020185868 171049448 /nfs/dbraw/zinc/04/94/48/171049448.db2.gz JRMCZSFQXNMOMI-UHFFFAOYSA-N 0 0 251.289 2.322 10 30 CEEERN C[C@H]1C[C@H](C)CN(S(=O)(=O)Cc2ccccc2C#N)C1 ZINC000021512118 171310818 /nfs/dbraw/zinc/31/08/18/171310818.db2.gz OGTOLGRIXJLWRX-STQMWFEESA-N 0 0 292.404 2.366 10 30 CEEERN C#CCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037247481 173060095 /nfs/dbraw/zinc/06/00/95/173060095.db2.gz YJBFMJVGVHJXDR-UHFFFAOYSA-N 0 0 273.075 2.265 10 30 CEEERN C[C@H](Nc1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000037259752 173069841 /nfs/dbraw/zinc/06/98/41/173069841.db2.gz JVQHFHKPSCFGJR-NSHDSACASA-N 0 0 256.309 2.496 10 30 CEEERN N#Cc1ccccc1C[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000037561996 173272397 /nfs/dbraw/zinc/27/23/97/173272397.db2.gz GQTFBZKUFKDNDU-UHFFFAOYSA-N 0 0 258.321 2.291 10 30 CEEERN N#C[C@H](NC[C@@H]1CCCO1)c1cc(F)ccc1F ZINC000037940279 173879641 /nfs/dbraw/zinc/87/96/41/173879641.db2.gz WDJKZTLVQLLQFB-GWCFXTLKSA-N 0 0 252.264 2.298 10 30 CEEERN N#Cc1ccc([C@@H](Nc2ccccc2)C(N)=O)cc1 ZINC000037941883 173881808 /nfs/dbraw/zinc/88/18/08/173881808.db2.gz DHRXJTXOUYHNBV-CQSZACIVSA-N 0 0 251.289 2.197 10 30 CEEERN COc1cc([C@@H](C#N)NCC(F)(F)F)ccc1O ZINC000037971069 173921835 /nfs/dbraw/zinc/92/18/35/173921835.db2.gz HHSHFKVHXAJDOC-MRVPVSSYSA-N 0 0 260.215 2.117 10 30 CEEERN COCC(=O)N(c1c(C)cccc1C)[C@@H](C)/C=N\OC ZINC000038634299 174149807 /nfs/dbraw/zinc/14/98/07/174149807.db2.gz PVKHDHPDXOREJI-LWLPBDFMSA-N 0 0 278.352 2.304 10 30 CEEERN CN(C)N=Cc1ccc([C@@H](O)C(=O)c2ccccc2)o1 ZINC000039715106 174171416 /nfs/dbraw/zinc/17/14/16/174171416.db2.gz DWBZWKLNLWGGTG-CCAPLTMGSA-N 0 0 272.304 2.091 10 30 CEEERN CCCCCCCCC1(CC)C(=O)NC(=O)NC1=O ZINC000040135796 174194013 /nfs/dbraw/zinc/19/40/13/174194013.db2.gz NTYYDJWPKCQQIB-UHFFFAOYSA-N 0 0 268.357 2.499 10 30 CEEERN Cc1ccc(C)c(S(=O)(=O)NC2(C#N)CCCC2)c1 ZINC000040215452 174204292 /nfs/dbraw/zinc/20/42/92/174204292.db2.gz IQLQLCYMVAFFAJ-UHFFFAOYSA-N 0 0 278.377 2.418 10 30 CEEERN CC[C@](C)(C#N)N1C(=O)C[C@H](c2ccccc2)C1=O ZINC000040605820 174353217 /nfs/dbraw/zinc/35/32/17/174353217.db2.gz DAXXWIKRENEKLV-IUODEOHRSA-N 0 0 256.305 2.221 10 30 CEEERN C=CCNc1ncnc(Oc2ccc(OC)cc2)c1N ZINC000040709189 174380847 /nfs/dbraw/zinc/38/08/47/174380847.db2.gz OFVPHHXMYFCLAS-UHFFFAOYSA-N 0 0 272.308 2.458 10 30 CEEERN CCN(CCC#N)[C@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000042450203 174743628 /nfs/dbraw/zinc/74/36/28/174743628.db2.gz MNXJPXWAPRQKFO-SNVBAGLBSA-N 0 0 294.786 2.485 10 30 CEEERN C[C@@H](CN(C)c1nc2ccccc2s1)/C(N)=N/O ZINC000042458579 174750183 /nfs/dbraw/zinc/75/01/83/174750183.db2.gz STLXTBNWABFDNJ-QMMMGPOBSA-N 0 0 264.354 2.115 10 30 CEEERN CCc1ccc2c(c1)NC(=O)/C2=N\OCC(F)(F)F ZINC000042750400 174866807 /nfs/dbraw/zinc/86/68/07/174866807.db2.gz ROLVFRKBTMRWIV-UHFFFAOYSA-N 0 0 272.226 2.484 10 30 CEEERN C[C@@H](N(C)c1ccc(/C(N)=N/O)cn1)C(C)(C)C ZINC000042766502 174869601 /nfs/dbraw/zinc/86/96/01/174869601.db2.gz JHAXMKBRAXSQKY-SECBINFHSA-N 0 0 250.346 2.047 10 30 CEEERN Cc1cc(Br)ccc1NS(=O)(=O)CC#N ZINC000044509397 175187107 /nfs/dbraw/zinc/18/71/07/175187107.db2.gz PCJREUQVSXEFGH-UHFFFAOYSA-N 0 0 289.154 2.023 10 30 CEEERN CCCN1CCN(C(=O)C2(C#N)CCCCCC2)CC1 ZINC000044765132 175248826 /nfs/dbraw/zinc/24/88/26/175248826.db2.gz JEOJHUSBKADXLE-UHFFFAOYSA-N 0 0 277.412 2.405 10 30 CEEERN N#CC1(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000044765936 175248898 /nfs/dbraw/zinc/24/88/98/175248898.db2.gz QYGUCHOOUCEDJX-KBPBESRZSA-N 0 0 276.380 2.488 10 30 CEEERN N#CC1(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CCOCC1 ZINC000044765935 175249046 /nfs/dbraw/zinc/24/90/46/175249046.db2.gz QYGUCHOOUCEDJX-UONOGXRCSA-N 0 0 276.380 2.488 10 30 CEEERN CCOC(=O)N1CCC(NC(=O)C(C#N)(CC)CC)CC1 ZINC000044765229 175249103 /nfs/dbraw/zinc/24/91/03/175249103.db2.gz HOFOJIMHGQVMST-UHFFFAOYSA-N 0 0 295.383 2.053 10 30 CEEERN CN(C[C@@H]1CCCO1)C(=O)C1(C#N)CCCCCC1 ZINC000044766266 175249446 /nfs/dbraw/zinc/24/94/46/175249446.db2.gz FUODAZNPSJSAFO-ZDUSSCGKSA-N 0 0 264.369 2.488 10 30 CEEERN CC[C@@H]1CO[C@H](C)CN1C(=O)C1(C#N)CCCCC1 ZINC000044766227 175249507 /nfs/dbraw/zinc/24/95/07/175249507.db2.gz PPNNCQUXNRKSBN-CHWSQXEVSA-N 0 0 264.369 2.486 10 30 CEEERN CCC(C#N)(CC)C(=O)N1CCO[C@H]2CCC[C@@H]21 ZINC000044767322 175249926 /nfs/dbraw/zinc/24/99/26/175249926.db2.gz YXVQSZKJPGDBIE-RYUDHWBXSA-N 0 0 250.342 2.096 10 30 CEEERN CCC[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000044812326 175257979 /nfs/dbraw/zinc/25/79/79/175257979.db2.gz USAYLLJMTIKRKM-SNVBAGLBSA-N 0 0 260.293 2.336 10 30 CEEERN CC(C)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000044812329 175258016 /nfs/dbraw/zinc/25/80/16/175258016.db2.gz PWCYPBSCTPTKIO-LLVKDONJSA-N 0 0 260.293 2.192 10 30 CEEERN CCN(CC(F)(F)F)C[C@](C)(C#N)NC(C)C ZINC000045176810 175323485 /nfs/dbraw/zinc/32/34/85/175323485.db2.gz CJICVNDFFLCTSO-JTQLQIEISA-N 0 0 251.296 2.151 10 30 CEEERN CCCN(CC(F)(F)F)C[C@@](C)(C#N)NCC ZINC000045176848 175323488 /nfs/dbraw/zinc/32/34/88/175323488.db2.gz CMWNCXSJHAUMLF-SNVBAGLBSA-N 0 0 251.296 2.152 10 30 CEEERN CCN[C@](C#N)(CN(C)C[C@@H]1CCCO1)c1ccccc1 ZINC000045182397 175325325 /nfs/dbraw/zinc/32/53/25/175325325.db2.gz XCXNNHREFVSXAH-DLBZAZTESA-N 0 0 287.407 2.126 10 30 CEEERN CCN[C@@](C#N)(CN1CCOCC1(C)C)c1ccccc1 ZINC000045182619 175325606 /nfs/dbraw/zinc/32/56/06/175325606.db2.gz NRJROCUFVWRQDF-KRWDZBQOSA-N 0 0 287.407 2.126 10 30 CEEERN CC[C@@H]1CO[C@@H](C)CN1CC[C@@](C)(C#N)NC(C)C ZINC000045182820 175325625 /nfs/dbraw/zinc/32/56/25/175325625.db2.gz LAAHZXJSINWLFM-ZNMIVQPWSA-N 0 0 267.417 2.156 10 30 CEEERN C[C@@](C#N)(CCn1cnc2ccccc21)NC1CC1 ZINC000045206869 175328508 /nfs/dbraw/zinc/32/85/08/175328508.db2.gz BBNCHOXJLYGJGU-HNNXBMFYSA-N 0 0 254.337 2.461 10 30 CEEERN CCN[C@](C#N)(Cn1ccnc1CC)c1ccccc1 ZINC000045207223 175328690 /nfs/dbraw/zinc/32/86/90/175328690.db2.gz WVNQVIRIINSNMK-MRXNPFEDSA-N 0 0 268.364 2.474 10 30 CEEERN CCCCOCCOC[C@](C#N)(NC)c1ccccc1 ZINC000045207592 175328801 /nfs/dbraw/zinc/32/88/01/175328801.db2.gz TWSDPCQOGQWBHC-INIZCTEOSA-N 0 0 276.380 2.458 10 30 CEEERN CN[C@](C)(C#N)CCCOc1ccc2c(c1)CCC(=O)N2 ZINC000045326988 175359819 /nfs/dbraw/zinc/35/98/19/175359819.db2.gz AEKGFENSDZVAJK-INIZCTEOSA-N 0 0 287.363 2.232 10 30 CEEERN Cc1cc(OC[C@@H](C#N)NC(C)C)ccc1[N+](=O)[O-] ZINC000045331267 175360418 /nfs/dbraw/zinc/36/04/18/175360418.db2.gz FEKJFGFEYCQLCR-LLVKDONJSA-N 0 0 263.297 2.172 10 30 CEEERN CCCN[C@@H](C#N)CCOc1cc(OC)cc(OC)c1 ZINC000071139093 176037494 /nfs/dbraw/zinc/03/74/94/176037494.db2.gz NXUVHZYOYVOQQH-GFCCVEGCSA-N 0 0 278.352 2.364 10 30 CEEERN C[C@H]1CCC[C@H]1NC(=O)c1ccc(C#CCCO)cc1F ZINC000071210912 176082975 /nfs/dbraw/zinc/08/29/75/176082975.db2.gz BFZVQGIWVGFEOC-BLLLJJGKSA-N 0 0 289.350 2.478 10 30 CEEERN COCCN(CCC#N)c1ccc(C=O)cc1F ZINC000071226389 176089808 /nfs/dbraw/zinc/08/98/08/176089808.db2.gz VPWHTFPJSMGYJS-UHFFFAOYSA-N 0 0 250.273 2.005 10 30 CEEERN COC(=O)[C@@H](CC(C)C)NCc1ccc(F)cc1C#N ZINC000071263976 176097506 /nfs/dbraw/zinc/09/75/06/176097506.db2.gz VZQZSILXXIBXLX-CQSZACIVSA-N 0 0 278.327 2.375 10 30 CEEERN CC(C)[C@@H](C)C(=O)NCc1ccc(C#CCO)s1 ZINC000071322442 176123093 /nfs/dbraw/zinc/12/30/93/176123093.db2.gz DKCJTUIMKQBAMV-LLVKDONJSA-N 0 0 265.378 2.000 10 30 CEEERN Cc1ccncc1NC(=O)c1ccc(F)cc1C#CCO ZINC000071414763 176160065 /nfs/dbraw/zinc/16/00/65/176160065.db2.gz FNFROHSBFURIOK-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN C=CCN(CCC(=O)OCC)C(=O)/C=C/c1ccco1 ZINC000071659070 176242001 /nfs/dbraw/zinc/24/20/01/176242001.db2.gz NTEGSHMQANRNLL-BQYQJAHWSA-N 0 0 277.320 2.261 10 30 CEEERN COc1cccc2c1C(=O)N(Cc1cccnc1)[C@H]2C#N ZINC000071678675 176243628 /nfs/dbraw/zinc/24/36/28/176243628.db2.gz GTXBISVAJHKUSK-ZDUSSCGKSA-N 0 0 279.299 2.311 10 30 CEEERN CC[C@H](CO)N1C(=O)c2c(cccc2Cl)C1C#N ZINC000071678891 176243633 /nfs/dbraw/zinc/24/36/33/176243633.db2.gz QICLWVWXCSHEAM-LDYMZIIASA-N 0 0 264.712 2.131 10 30 CEEERN N#CC1(c2ccccc2)CCN(C(=O)C2CC2)CC1 ZINC000074778265 176613833 /nfs/dbraw/zinc/61/38/33/176613833.db2.gz BPJAYOKEUZKBTL-UHFFFAOYSA-N 0 0 254.333 2.480 10 30 CEEERN C#Cc1cccc(NC(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000077673860 177293498 /nfs/dbraw/zinc/29/34/98/177293498.db2.gz FBEOUDMGUVDOQS-UKRRQHHQSA-N 0 0 272.348 2.341 10 30 CEEERN CC(C)[C@@H](C#N)NS(=O)(=O)CC1CCCCC1 ZINC000079846950 177570059 /nfs/dbraw/zinc/57/00/59/177570059.db2.gz FNYWOEWRUMUDGB-GFCCVEGCSA-N 0 0 258.387 2.034 10 30 CEEERN N#C[C@]1(C(=O)NCCC2CCOCC2)CC12CCCC2 ZINC000333361566 228198422 /nfs/dbraw/zinc/19/84/22/228198422.db2.gz XQGKDMDSTFUKJV-INIZCTEOSA-N 0 0 276.380 2.393 10 30 CEEERN C=CCOc1ccccc1C(=O)N1CC[C@@H](CCO)C1 ZINC000126893033 260360467 /nfs/dbraw/zinc/36/04/67/260360467.db2.gz HMPSTCNVVMGAGN-ZDUSSCGKSA-N 0 0 275.348 2.096 10 30 CEEERN C[C@H]1CC[C@H](C(=O)Nc2ncccc2OCCCC#N)O1 ZINC000151745141 260609327 /nfs/dbraw/zinc/60/93/27/260609327.db2.gz MJUVZAZKQVCYTM-WCQYABFASA-N 0 0 289.335 2.270 10 30 CEEERN N#CCC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000154021394 261086912 /nfs/dbraw/zinc/08/69/12/261086912.db2.gz IFDPWDFCUNDNDI-NWDGAFQWSA-N 0 0 298.264 2.253 10 30 CEEERN CCOc1ccc(O)c(/C=N/[C@@H]2CCCn3ncnc32)c1 ZINC000176448940 261654354 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VASHZRHNMQGJCS-AWEZNQCLSA-N 0 0 254.374 2.244 10 30 CEEERN N#Cc1cc(F)c(NCCCC(=O)NC2CC2)c(F)c1 ZINC000111143309 186358317 /nfs/dbraw/zinc/35/83/17/186358317.db2.gz ZFLAQIOEUMJJEL-UHFFFAOYSA-N 0 0 279.290 2.307 10 30 CEEERN Cc1ccccc1[C@H](C)NS(=O)(=O)CCCC#N ZINC000111325191 186398584 /nfs/dbraw/zinc/39/85/84/186398584.db2.gz VDWWKWBCFSZZOY-LBPRGKRZSA-N 0 0 266.366 2.279 10 30 CEEERN N#Cc1ccc(-c2nc(-c3ccccc3N)no2)nc1 ZINC000111282529 186390059 /nfs/dbraw/zinc/39/00/59/186390059.db2.gz JQPVSHZDCNVJBN-UHFFFAOYSA-N 0 0 263.260 2.252 10 30 CEEERN Cc1nn(C)c(NCc2cc(F)ccc2F)c1C#N ZINC000112173748 186472168 /nfs/dbraw/zinc/47/21/68/186472168.db2.gz WBHJIWIWNLTDAT-UHFFFAOYSA-N 0 0 262.263 2.491 10 30 CEEERN N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1 ZINC000070268671 363065541 /nfs/dbraw/zinc/06/55/41/363065541.db2.gz XIQXEFPXJGINDC-NSHDSACASA-N 0 0 250.685 2.329 10 30 CEEERN Cn1ncnc1CNc1ccc(Br)cc1C#N ZINC000132396561 187625223 /nfs/dbraw/zinc/62/52/23/187625223.db2.gz HQWLIMLWZOHSBF-UHFFFAOYSA-N 0 0 292.140 2.061 10 30 CEEERN CCOC(=O)C#Cc1cc(Br)cc(N)c1C ZINC000675078520 540119032 /nfs/dbraw/zinc/11/90/32/540119032.db2.gz HLXJRKGPQUBQKF-UHFFFAOYSA-N 0 0 282.137 2.254 10 30 CEEERN N#Cc1cc(N2CC[C@H](O)C2)nc2ccc(Cl)cc12 ZINC000301370236 283107075 /nfs/dbraw/zinc/10/70/75/283107075.db2.gz PSAXFUGPXPWJJH-NSHDSACASA-N 0 0 273.723 2.331 10 30 CEEERN C[C@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CCS1 ZINC000075436118 363464793 /nfs/dbraw/zinc/46/47/93/363464793.db2.gz ZZXOXIVRFXMQNC-JTQLQIEISA-N 0 0 293.367 2.344 10 30 CEEERN COC(=O)c1cc(C#N)cc(C=O)c1OC(F)(F)F ZINC000575390822 366267643 /nfs/dbraw/zinc/26/76/43/366267643.db2.gz CUTWIGCRGUOVDE-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN COC(=O)Cc1c(C#N)cc(C=O)cc1C(F)(F)F ZINC000575391519 366268535 /nfs/dbraw/zinc/26/85/35/366268535.db2.gz PELDHUUBAPKMAT-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN COC(=O)c1ccc(C=O)c(OC(F)(F)F)c1C#N ZINC000575391634 366269579 /nfs/dbraw/zinc/26/95/79/366269579.db2.gz YUVYFDXNCNOEMK-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN CCOC(=O)c1cc(O)c(OC(F)(F)F)c(C#N)c1 ZINC000575391941 366269730 /nfs/dbraw/zinc/26/97/30/366269730.db2.gz XIUAZFFEJBEWDO-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN CCOC(=O)c1c(C#N)cc(O)cc1OC(F)(F)F ZINC000575391869 366270038 /nfs/dbraw/zinc/27/00/38/366270038.db2.gz SHDMBKKMSUTEQL-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN CCOC(=O)Cc1cc(O)cc(C(F)(F)F)c1C#N ZINC000575392042 366271364 /nfs/dbraw/zinc/27/13/64/366271364.db2.gz MXKOWLTZHYNMLF-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(O)cc1C(F)(F)F ZINC000575392031 366271695 /nfs/dbraw/zinc/27/16/95/366271695.db2.gz MBMDILCFTJOXBH-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN COC(=O)Cc1cc(OC)c(C(F)(F)F)cc1C#N ZINC000575394937 366274791 /nfs/dbraw/zinc/27/47/91/366274791.db2.gz UTEGFODMAVAWJD-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)c1c(OC(F)(F)F)ccc(C#N)c1OC ZINC000575395160 366275283 /nfs/dbraw/zinc/27/52/83/366275283.db2.gz YVLIQDQHXPWILD-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575395865 366276035 /nfs/dbraw/zinc/27/60/35/366276035.db2.gz TWOODTIFZCBAGW-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN C#C[C@H](C)Nc1ccc(I)cn1 ZINC000575561471 366296642 /nfs/dbraw/zinc/29/66/42/366296642.db2.gz ZGZUVDWOMDUHHB-ZETCQYMHSA-N 0 0 272.089 2.120 10 30 CEEERN Cc1c(I)c(N)ccc1CC#N ZINC000575718284 366344100 /nfs/dbraw/zinc/34/41/00/366344100.db2.gz CSVLLBHYSLFITM-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN Cc1cc(N)cc(I)c1CC#N ZINC000575719380 366345154 /nfs/dbraw/zinc/34/51/54/366345154.db2.gz SHEAPMFLDWCTTR-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN N#Cc1ccc(I)c(Cl)c1N ZINC000575720022 366345214 /nfs/dbraw/zinc/34/52/14/366345214.db2.gz CGJXVZDEPWVIBY-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN C#CC(=O)[C@H](CNC(=O)OC(C)(C)C)C1CCC1 ZINC000685961146 540661249 /nfs/dbraw/zinc/66/12/49/540661249.db2.gz CFFNUPKDFNDLLH-LLVKDONJSA-N 0 0 251.326 2.130 10 30 CEEERN CC(C)[C@@H](O)CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000178890717 189153173 /nfs/dbraw/zinc/15/31/73/189153173.db2.gz JBTJQACIKNXHDI-INIZCTEOSA-N 0 0 286.375 2.456 10 30 CEEERN CO[C@@H]1[C@H](O)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@H]1CC=C(C)C ZINC000090506259 294037516 /nfs/dbraw/zinc/03/75/16/294037516.db2.gz CEVCTNCUIVEQOY-IBPCWRJOSA-N 0 0 282.380 2.055 10 30 CEEERN Cc1cc(NCCCNc2ncccn2)c(C#N)c(C)n1 ZINC000301773300 201187330 /nfs/dbraw/zinc/18/73/30/201187330.db2.gz KBIZDUYNUQJHGG-UHFFFAOYSA-N 0 0 282.351 2.274 10 30 CEEERN Cc1cc(C)n2nc(Sc3cccc(C#N)n3)nc2n1 ZINC000301852353 201231565 /nfs/dbraw/zinc/23/15/65/201231565.db2.gz PUNCNAIPQCTHPO-UHFFFAOYSA-N 0 0 282.332 2.159 10 30 CEEERN COc1cccc(CN=Nc2ocnc2C#N)c1OC ZINC000026533141 361642613 /nfs/dbraw/zinc/64/26/13/361642613.db2.gz ROIOZDSGIVXTAE-FRKPEAEDSA-N 0 0 272.264 2.009 10 30 CEEERN N#Cc1c(I)cccc1[N+](=O)[O-] ZINC000088190197 363879976 /nfs/dbraw/zinc/87/99/76/363879976.db2.gz OFOAJCHZFBHSCB-UHFFFAOYSA-N 0 0 274.017 2.071 10 30 CEEERN CN(c1cccnn1)C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093272527 364156823 /nfs/dbraw/zinc/15/68/23/364156823.db2.gz KHQZARTWZQWABF-UHFFFAOYSA-N 0 0 297.362 2.042 10 30 CEEERN Cc1ccccc1N/N=C1\Oc2c(ccc(O)c2O)C1=O ZINC000100108497 364539797 /nfs/dbraw/zinc/53/97/97/364539797.db2.gz QTFFOYZVPAELHK-ICFOKQHNSA-N 0 0 284.271 2.407 10 30 CEEERN CCOC(=O)C(Cl)=NNc1ccc(F)cc1F ZINC000101338237 364556527 /nfs/dbraw/zinc/55/65/27/364556527.db2.gz PYAVEXZNKQKOJP-OQLLNIDSSA-N 0 0 262.643 2.492 10 30 CEEERN CCn1c(C)nnc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000120892237 365490492 /nfs/dbraw/zinc/49/04/92/365490492.db2.gz ORKVDOOLVUMUAE-LLVKDONJSA-N 0 0 269.352 2.329 10 30 CEEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCS1 ZINC000171736145 367605355 /nfs/dbraw/zinc/60/53/55/367605355.db2.gz PAOFDPOWCUGJKM-NSHDSACASA-N 0 0 275.377 2.205 10 30 CEEERN C#Cc1cccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000174786065 368067117 /nfs/dbraw/zinc/06/71/17/368067117.db2.gz RNDNWHZPPLXPAK-OAHLLOKOSA-N 0 0 295.346 2.128 10 30 CEEERN C=CCCCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000175726933 368168707 /nfs/dbraw/zinc/16/87/07/368168707.db2.gz LIQMTSLQHQRAFC-UHFFFAOYSA-N 0 0 261.369 2.482 10 30 CEEERN CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000175586512 368152934 /nfs/dbraw/zinc/15/29/34/368152934.db2.gz FSRAKZCBYZCMJS-ZDUSSCGKSA-N 0 0 297.362 2.123 10 30 CEEERN Cc1ccc2c(c1)[C@H](NC(=O)N1CCO[C@H](C#N)C1)[C@H](C)C2 ZINC000181942658 368508568 /nfs/dbraw/zinc/50/85/68/368508568.db2.gz SZDCTYOQDNTENI-XNRPHZJLSA-N 0 0 299.374 2.162 10 30 CEEERN C=C(C)C[C@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000185637319 368834190 /nfs/dbraw/zinc/83/41/90/368834190.db2.gz TZSVLDGAZRHADM-AWEZNQCLSA-N 0 0 288.395 2.118 10 30 CEEERN C#CCC(C)(C)C(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000186317425 368955698 /nfs/dbraw/zinc/95/56/98/368955698.db2.gz CWCHZVYAEQFKAR-ZDUSSCGKSA-N 0 0 288.395 2.054 10 30 CEEERN COC(=O)[C@@]1(C)CCCN1Cc1ccc(C#N)cc1OC ZINC000186336186 368958904 /nfs/dbraw/zinc/95/89/04/368958904.db2.gz CYFVDZQACBEMHD-MRXNPFEDSA-N 0 0 288.347 2.094 10 30 CEEERN COC[C@@H]1C[C@@H](OC)CN1c1c(F)cc(C#N)cc1F ZINC000343707115 216883670 /nfs/dbraw/zinc/88/36/70/216883670.db2.gz JPVBKFUUZSRIBS-WDEREUQCSA-N 0 0 282.290 2.077 10 30 CEEERN C=C[C@](C)(CCOC)C(=O)N[C@H]1COc2ccccc21 ZINC000188415563 369352829 /nfs/dbraw/zinc/35/28/29/369352829.db2.gz HDTWVYXXMKENBC-XJKSGUPXSA-N 0 0 275.348 2.465 10 30 CEEERN C=CC[C@@H](C(=O)N[C@@H]1CCc2ncnn2C1)c1ccccc1 ZINC000189471410 369521557 /nfs/dbraw/zinc/52/15/57/369521557.db2.gz HRQIJCLFUDBRQJ-HUUCEWRRSA-N 0 0 296.374 2.069 10 30 CEEERN OC[C@H]1O[C@@H]1COc1ccccc1OCc1ccccc1 ZINC000196951536 370146761 /nfs/dbraw/zinc/14/67/61/370146761.db2.gz LZPMMYDZOUAIPV-IAGOWNOFSA-N 0 0 286.327 2.404 10 30 CEEERN CC#CC[C@H](NN)c1cc(Br)cs1 ZINC000228943675 370416332 /nfs/dbraw/zinc/41/63/32/370416332.db2.gz NOZJKZIKVNGUJH-QMMMGPOBSA-N 0 0 259.172 2.428 10 30 CEEERN Cc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)n1 ZINC000235906884 370581151 /nfs/dbraw/zinc/58/11/51/370581151.db2.gz UTHMFDCWURMEOT-UHFFFAOYSA-N 0 0 269.264 2.177 10 30 CEEERN CCOC(=O)c1c2c(sc1NC(C)=O)C(=NO)CCC2 ZINC000254290740 371534074 /nfs/dbraw/zinc/53/40/74/371534074.db2.gz DAPHTXFHHSZCCC-UHFFFAOYSA-N 0 0 296.348 2.398 10 30 CEEERN CSc1nnc(C(F)F)n1N=Cc1cccnc1 ZINC000254397608 371535340 /nfs/dbraw/zinc/53/53/40/371535340.db2.gz FPMXUHIALJDADQ-UHFFFAOYSA-N 0 0 269.280 2.215 10 30 CEEERN N#Cc1nc2ccccc2cc1N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000334053702 205962879 /nfs/dbraw/zinc/96/28/79/205962879.db2.gz SXWPFPJYEKSYSS-DCGLDWPTSA-N 0 0 279.343 2.314 10 30 CEEERN N/C(Cc1cc(Cl)ccc1Br)=N/O ZINC000307304274 376562471 /nfs/dbraw/zinc/56/24/71/376562471.db2.gz GVXPWIHNXJYBTK-UHFFFAOYSA-N 0 0 263.522 2.391 10 30 CEEERN CC(C)(C)[C@H](O)COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000290025605 376609449 /nfs/dbraw/zinc/60/94/49/376609449.db2.gz GNLGXVLNSBVWQS-GFCCVEGCSA-N 0 0 264.281 2.252 10 30 CEEERN Cc1ccc(NCCCCn2ccccc2=O)nc1C#N ZINC000302665343 379417842 /nfs/dbraw/zinc/41/78/42/379417842.db2.gz PYMRIXGWEQVTOH-UHFFFAOYSA-N 0 0 282.347 2.316 10 30 CEEERN CN(C)C(=O)[C@H]1CCCN1c1ccc(C#N)c(Cl)c1 ZINC000267214782 190312524 /nfs/dbraw/zinc/31/25/24/190312524.db2.gz MLZFKXJUFAIWQH-CYBMUJFWSA-N 0 0 277.755 2.269 10 30 CEEERN C#CCC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405820821 542276020 /nfs/dbraw/zinc/27/60/20/542276020.db2.gz XEEPQAQCTNSKOT-MNOVXSKESA-N 0 0 251.326 2.272 10 30 CEEERN C=CCN(CC=C)S(=O)(=O)c1cc(CO)cc(C)c1C ZINC000088873459 184613491 /nfs/dbraw/zinc/61/34/91/184613491.db2.gz SASNDQTTYAJWND-UHFFFAOYSA-N 0 0 295.404 2.158 10 30 CEEERN N#Cc1ccc(CN2CCO[C@@H](c3nccs3)C2)o1 ZINC000092831501 184629910 /nfs/dbraw/zinc/62/99/10/184629910.db2.gz NTVYVWFTQSIPGF-GFCCVEGCSA-N 0 0 275.333 2.181 10 30 CEEERN C#CCCCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000192046763 533021013 /nfs/dbraw/zinc/02/10/13/533021013.db2.gz SHANVLIETFVSRE-GFCCVEGCSA-N 0 0 293.388 2.071 10 30 CEEERN N#C[C@@H]1CCCCN1C(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000094190555 184761584 /nfs/dbraw/zinc/76/15/84/184761584.db2.gz ISMWMDULOWVLKG-QMMMGPOBSA-N 0 0 295.245 2.391 10 30 CEEERN CC[C@@H]1CC(=O)N(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000094793781 184865670 /nfs/dbraw/zinc/86/56/70/184865670.db2.gz YABMRQQDJNXHOF-GFCCVEGCSA-N 0 0 285.347 2.145 10 30 CEEERN CC[C@@H](C)CNC(=O)c1cc(C)c(C#CCO)s1 ZINC000094535233 184814521 /nfs/dbraw/zinc/81/45/21/184814521.db2.gz TWLPUKMNWDKLPI-SNVBAGLBSA-N 0 0 265.378 2.176 10 30 CEEERN Cc1cc(NC(=O)c2cccnc2C)ccc1C#CCO ZINC000094649361 184834426 /nfs/dbraw/zinc/83/44/26/184834426.db2.gz AHXKHESMFVBJCM-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN Cc1cc(C)cc(CS(=O)(=O)C[C@@H](C)C#N)c1 ZINC000094721144 184846604 /nfs/dbraw/zinc/84/66/04/184846604.db2.gz GQCWSCOBXBFCRR-LBPRGKRZSA-N 0 0 251.351 2.378 10 30 CEEERN CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 ZINC000095083096 184937825 /nfs/dbraw/zinc/93/78/25/184937825.db2.gz XGCSOXAIYBYYCV-LBPRGKRZSA-N 0 0 289.335 2.341 10 30 CEEERN CO[C@@H]1CCC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC000329295073 533387185 /nfs/dbraw/zinc/38/71/85/533387185.db2.gz SEJNJPRTIWQJMS-ZWNOBZJWSA-N 0 0 288.351 2.088 10 30 CEEERN C[C@@H]1C[C@@H](C)CN(c2ccc(/C(N)=N/O)cc2F)C1 ZINC000036887658 134826181 /nfs/dbraw/zinc/82/61/81/134826181.db2.gz YOQLICQLXKWBLG-NXEZZACHSA-N 0 0 265.332 2.403 10 30 CEEERN N#Cc1ccccc1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000083920358 135031241 /nfs/dbraw/zinc/03/12/41/135031241.db2.gz WCXQOMRMBHIUAH-UHFFFAOYSA-N 0 0 293.252 2.189 10 30 CEEERN C=CC[C@H](CO)Nc1c(C#N)cnc2ccccc21 ZINC000302121019 394472882 /nfs/dbraw/zinc/47/28/82/394472882.db2.gz GAWOGBIHBMAIKO-GFCCVEGCSA-N 0 0 253.305 2.455 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000061889773 394569162 /nfs/dbraw/zinc/56/91/62/394569162.db2.gz UZOCVXGERWMGFI-JGVFFNPUSA-N 0 0 290.797 2.372 10 30 CEEERN CC#CCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000135002746 394961970 /nfs/dbraw/zinc/96/19/70/394961970.db2.gz HEVRZNWBUXLNDE-NXEZZACHSA-N 0 0 262.275 2.430 10 30 CEEERN Cc1ccc(C#N)c(N[C@H]2CCc3nnc(C(C)C)n3C2)n1 ZINC000179771241 395198438 /nfs/dbraw/zinc/19/84/38/395198438.db2.gz JZIBEFWQLIVJNU-ZDUSSCGKSA-N 0 0 296.378 2.404 10 30 CEEERN C[C@@H]1C(c2cccs2)=[N+]([O-])[C@@](C)(c2ccccc2)N1O ZINC000575346637 395660552 /nfs/dbraw/zinc/66/05/52/395660552.db2.gz ZUGHDJFUSKOELU-MSUGYRDISA-N 0 0 289.380 2.310 10 30 CEEERN CCOC(=O)c1ccnc(OC(F)(F)F)c1C#N ZINC000575374260 395661351 /nfs/dbraw/zinc/66/13/51/395661351.db2.gz FRHWEZXCKOWFTG-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)c1cc(C#N)nc(OC(F)(F)F)c1 ZINC000575374346 395661428 /nfs/dbraw/zinc/66/14/28/395661428.db2.gz PHNPXWBTCHYLIY-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)Cc1cc(C=O)c(C#N)cc1Cl ZINC000575382702 395662158 /nfs/dbraw/zinc/66/21/58/395662158.db2.gz BZSNNNDNPPIICT-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1c(C=O)ccc(Cl)c1C#N ZINC000575382721 395662297 /nfs/dbraw/zinc/66/22/97/395662297.db2.gz VTCIPTSESTXNFZ-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)c1cc(C#N)c(Cl)c([N+](=O)[O-])c1 ZINC000575382874 395662331 /nfs/dbraw/zinc/66/23/31/395662331.db2.gz LJHIIKJTBOYUCB-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN 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XLZZPXFHECMTMC-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN Cc1cc(I)cc(N)c1CC#N ZINC000575718692 366344273 /nfs/dbraw/zinc/34/42/73/366344273.db2.gz IRXFFQSTQFJJSQ-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN N#Cc1ccc(Cl)c(N)c1I ZINC000575720193 366345337 /nfs/dbraw/zinc/34/53/37/366345337.db2.gz HRCFINOVXYGDDF-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN C#CCCC(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685962179 540663216 /nfs/dbraw/zinc/66/32/16/540663216.db2.gz XLLYTOCQOZUUKY-GHMZBOCLSA-N 0 0 251.326 2.130 10 30 CEEERN Cn1cc([C@@H]2CCCN2C(=O)c2cc(C#N)cs2)cn1 ZINC000177463999 189052941 /nfs/dbraw/zinc/05/29/41/189052941.db2.gz BRSCKIQUFNUKHC-LBPRGKRZSA-N 0 0 286.360 2.331 10 30 CEEERN Cc1cc(OCC#N)nc(NCc2ccccc2)n1 ZINC000003172826 361266906 /nfs/dbraw/zinc/26/69/06/361266906.db2.gz ZNMUKILRKBRUKA-UHFFFAOYSA-N 0 0 254.293 2.300 10 30 CEEERN COC[C@H](O)CN(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000154058160 366754654 /nfs/dbraw/zinc/75/46/54/366754654.db2.gz VSCYLGOPUAMYMR-LLVKDONJSA-N 0 0 288.269 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344596001 /nfs/dbraw/zinc/59/60/01/344596001.db2.gz YOMNIWCARCDFQX-ZCFIWIBFSA-N 0 0 267.481 2.474 10 30 CEEERN N#Cc1ccc(Br)c2c1OCCC2=O ZINC000238059559 344605610 /nfs/dbraw/zinc/60/56/10/344605610.db2.gz WNWGEENNJXWXMB-UHFFFAOYSA-N 0 0 252.067 2.286 10 30 CEEERN COC(=O)Cc1ccc(Br)c(C#N)c1 ZINC000238389839 344606776 /nfs/dbraw/zinc/60/67/76/344606776.db2.gz HOZLWXQSMDPNIL-UHFFFAOYSA-N 0 0 254.083 2.036 10 30 CEEERN N#Cc1ccc(Br)c([C@H]2CC[NH2+]2)c1[O-] ZINC000307043229 344719656 /nfs/dbraw/zinc/71/96/56/344719656.db2.gz UMXVCXUKDYWQAN-MRVPVSSYSA-N 0 0 253.099 2.061 10 30 CEEERN Cc1cc(C#CCO)ccc1N1C(=O)c2ccccc2C1=O ZINC000307243001 344721137 /nfs/dbraw/zinc/72/11/37/344721137.db2.gz SKOOPDTVFLYKGA-UHFFFAOYSA-N 0 0 291.306 2.139 10 30 CEEERN O=C(C#CBr)Nc1ccnc(Cl)c1 ZINC000307675431 344723772 /nfs/dbraw/zinc/72/37/72/344723772.db2.gz FRTGRAWWRINKQZ-UHFFFAOYSA-N 0 0 259.490 2.029 10 30 CEEERN Cn1cc([C@H]2CCCN2Cc2ccnc(C#N)c2)cn1 ZINC000312735078 344739632 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179198584 /nfs/dbraw/zinc/19/85/84/179198584.db2.gz FYURUEBPURGMNL-NSHDSACASA-N 0 0 295.408 2.388 10 30 CEEERN C=CCNC(=O)CSc1cc(N)ccc1Cl ZINC000085929733 179203009 /nfs/dbraw/zinc/20/30/09/179203009.db2.gz CRQQYPAINPHORB-UHFFFAOYSA-N 0 0 256.758 2.317 10 30 CEEERN COCCN(CCC#N)c1nc(Br)cs1 ZINC000086278148 179262648 /nfs/dbraw/zinc/26/26/48/179262648.db2.gz UBVMAVPTHCWXFW-UHFFFAOYSA-N 0 0 290.186 2.272 10 30 CEEERN CCC1CCC(NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000336835558 365904317 /nfs/dbraw/zinc/90/43/17/365904317.db2.gz JNZUAEWGMMLPFS-UHFFFAOYSA-N 0 0 293.392 2.200 10 30 CEEERN CCN[C@]1(C#N)CC[C@H](Sc2nncs2)C1 ZINC000086624237 179312367 /nfs/dbraw/zinc/31/23/67/179312367.db2.gz MIFPLZSMTUACTF-WCBMZHEXSA-N 0 0 254.384 2.055 10 30 CEEERN Cc1c(F)cc(C#N)cc1N[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000086673882 179318860 /nfs/dbraw/zinc/31/88/60/179318860.db2.gz ITTABTUEYHJMQE-GXTWGEPZSA-N 0 0 296.367 2.383 10 30 CEEERN Cc1c(F)cc(C#N)cc1N[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000086673880 179318922 /nfs/dbraw/zinc/31/89/22/179318922.db2.gz ITTABTUEYHJMQE-JSGCOSHPSA-N 0 0 296.367 2.383 10 30 CEEERN CC1CCC(O)(CNc2ccc(C#N)cc2N)CC1 ZINC000087046233 179388178 /nfs/dbraw/zinc/38/81/78/179388178.db2.gz CMPAFHNPWHXIOK-UHFFFAOYSA-N 0 0 259.353 2.494 10 30 CEEERN CCC1CCC(O)(CNc2nccnc2C#N)CC1 ZINC000087067956 179390747 /nfs/dbraw/zinc/39/07/47/179390747.db2.gz DDDOFAKMGVZEQZ-UHFFFAOYSA-N 0 0 260.341 2.091 10 30 CEEERN N#CCCN(C(=O)Cc1c(F)cccc1F)C1CC1 ZINC000087189021 179399828 /nfs/dbraw/zinc/39/98/28/179399828.db2.gz FCQUJWGYZBMZJH-UHFFFAOYSA-N 0 0 264.275 2.412 10 30 CEEERN Cc1cc(NC(=O)CC[C@@H]2CCCO2)ccc1C#CCO ZINC000087238118 179404075 /nfs/dbraw/zinc/40/40/75/179404075.db2.gz IXRFXUNPKNCCMB-INIZCTEOSA-N 0 0 287.359 2.237 10 30 CEEERN N#Cc1nccn1-c1cc(Br)ccc1N ZINC000087338000 179414783 /nfs/dbraw/zinc/41/47/83/179414783.db2.gz RVLSPFPFDAIFGY-UHFFFAOYSA-N 0 0 263.098 2.089 10 30 CEEERN CCc1nnsc1C(=O)Nc1ccccc1OCC#N ZINC000087445478 179427291 /nfs/dbraw/zinc/42/72/91/179427291.db2.gz ZTBIBNINOQLRGR-UHFFFAOYSA-N 0 0 288.332 2.255 10 30 CEEERN CCCc1nnsc1C(=O)N(CC#N)C1CCCC1 ZINC000087445838 179427821 /nfs/dbraw/zinc/42/78/21/179427821.db2.gz UCSYFWCKSXBBQL-UHFFFAOYSA-N 0 0 278.381 2.399 10 30 CEEERN CC(C)(C#N)CC[S@](=O)c1nc2ccc(N)cc2o1 ZINC000087594515 179451793 /nfs/dbraw/zinc/45/17/93/179451793.db2.gz KALIJRYOIWSPJU-LJQANCHMSA-N 0 0 277.349 2.457 10 30 CEEERN CCOC(=O)N1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616651838 348548615 /nfs/dbraw/zinc/54/86/15/348548615.db2.gz KUCFXFQZOYNPDZ-CQSZACIVSA-N 0 0 274.320 2.478 10 30 CEEERN CC(C)(C)C#C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000616581187 348526272 /nfs/dbraw/zinc/52/62/72/348526272.db2.gz JPWDFZNKBXZTGE-VXGBXAGGSA-N 0 0 267.369 2.264 10 30 CEEERN Cc1c(C#CCO)cccc1C(=O)N(CCC#N)C(C)C ZINC000088443303 179603960 /nfs/dbraw/zinc/60/39/60/179603960.db2.gz BFYKJYKBUJUCPB-UHFFFAOYSA-N 0 0 284.359 2.103 10 30 CEEERN CCC1(O)CN(c2c(C#N)cnc3ccccc32)C1 ZINC000089652653 179840642 /nfs/dbraw/zinc/84/06/42/179840642.db2.gz NOXPWXJJFVNZLP-UHFFFAOYSA-N 0 0 253.305 2.068 10 30 CEEERN CC(C)C(=O)NCC#CCOc1ccc2cccnc2c1 ZINC000090743303 180035818 /nfs/dbraw/zinc/03/58/18/180035818.db2.gz WGJFBIHEAOUVMW-UHFFFAOYSA-N 0 0 282.343 2.389 10 30 CEEERN N#Cc1ncccc1Cn1cc(CO)c2ccccc21 ZINC000091006531 180084711 /nfs/dbraw/zinc/08/47/11/180084711.db2.gz LBOKGHYJYZZNOK-UHFFFAOYSA-N 0 0 263.300 2.449 10 30 CEEERN C[C@H](N)c1nc(C(=O)Nc2cccc(C#N)c2)cs1 ZINC000090945894 180069283 /nfs/dbraw/zinc/06/92/83/180069283.db2.gz NDHFELKFOUNFOF-QMMMGPOBSA-N 0 0 272.333 2.287 10 30 CEEERN C[C@@H]1CC[C@@]1(C#N)S(=O)(=O)c1cc(F)ccc1F ZINC000091328174 180135746 /nfs/dbraw/zinc/13/57/46/180135746.db2.gz ZSZCJDBOEIZEOQ-PELKAZGASA-N 0 0 271.288 2.431 10 30 CEEERN CC(C)N[C@@](C#N)(CSC[C@@H](C)CO)C1CC1 ZINC000091258217 180115351 /nfs/dbraw/zinc/11/53/51/180115351.db2.gz YRGGYRBMCHWQKT-AAEUAGOBSA-N 0 0 256.415 2.018 10 30 CEEERN CCCN[C@](C)(C#N)C[C@H](C)SC[C@@H](C)CO ZINC000091258281 180115475 /nfs/dbraw/zinc/11/54/75/180115475.db2.gz CQJIPGVGLGVPMF-AVGNSLFASA-N 0 0 258.431 2.408 10 30 CEEERN CCN[C@@](C)(C#N)CCCCSC[C@@H](C)CO ZINC000091258268 180115569 /nfs/dbraw/zinc/11/55/69/180115569.db2.gz FYDUXFDHMHXKSD-QWHCGFSZSA-N 0 0 258.431 2.410 10 30 CEEERN CC(C)N[C@](C)(C#N)CCCSC[C@H](C)CO ZINC000091258242 180115573 /nfs/dbraw/zinc/11/55/73/180115573.db2.gz JWFUCAZKORNAPR-OLZOCXBDSA-N 0 0 258.431 2.408 10 30 CEEERN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1C#CCO ZINC000091458812 180160993 /nfs/dbraw/zinc/16/09/93/180160993.db2.gz GSKMSAHSKZLRMM-XJKSGUPXSA-N 0 0 286.375 2.076 10 30 CEEERN CSC1(C#N)CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000091472503 180165215 /nfs/dbraw/zinc/16/52/15/180165215.db2.gz NWCVHFVJWORRTF-UHFFFAOYSA-N 0 0 276.361 2.254 10 30 CEEERN CC(C)c1nn(C)c(N(C)[C@H](C)CC#N)c1[N+](=O)[O-] ZINC000091581261 180198878 /nfs/dbraw/zinc/19/88/78/180198878.db2.gz SQMPZXCCROVHQX-SECBINFHSA-N 0 0 265.317 2.190 10 30 CEEERN CCN(C[C@@H](C)C#N)c1c([N+](=O)[O-])c(C)nn1CC ZINC000091554502 180189658 /nfs/dbraw/zinc/18/96/58/180189658.db2.gz JYXBBHVTWXYORP-VIFPVBQESA-N 0 0 265.317 2.106 10 30 CEEERN CCc1ccc(C(=O)Nc2ncc(C#CCCO)s2)o1 ZINC000091763109 180248271 /nfs/dbraw/zinc/24/82/71/180248271.db2.gz UXRJYPCSMCFBKD-UHFFFAOYSA-N 0 0 290.344 2.285 10 30 CEEERN CCc1ccc(C(=O)NCc2cccc(C#CCO)c2)o1 ZINC000091763128 180248492 /nfs/dbraw/zinc/24/84/92/180248492.db2.gz IPXPPJITKFDSBU-UHFFFAOYSA-N 0 0 283.327 2.116 10 30 CEEERN N#C[C@@H]1CNCCN1Cc1cccc2ccccc21 ZINC000091748027 180244706 /nfs/dbraw/zinc/24/47/06/180244706.db2.gz AAZUUBUSCXYLGA-OAHLLOKOSA-N 0 0 251.333 2.137 10 30 CEEERN N#C[C@@H]1CNCCN1CC12CC3CC(CC(C3)C1)C2 ZINC000091748028 180245263 /nfs/dbraw/zinc/24/52/63/180245263.db2.gz PQTJFXPBMZEYPP-IBHBGHMQSA-N 0 0 259.397 2.000 10 30 CEEERN CC[C@H](C#N)[C@H](O)c1c(OC)cc(OC)cc1OC ZINC000091880079 180279286 /nfs/dbraw/zinc/27/92/86/180279286.db2.gz DDFNFTFOGSECLC-OTYXRUKQSA-N 0 0 265.309 2.296 10 30 CEEERN C[C@H](C#N)[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000091880919 180279350 /nfs/dbraw/zinc/27/93/50/180279350.db2.gz SWNXSQOLGLXNAC-RDDDGLTNSA-N 0 0 253.685 2.304 10 30 CEEERN N#C[C@]1([C@@H](O)c2ccnc3ccccc32)CCOC1 ZINC000091883332 180279391 /nfs/dbraw/zinc/27/93/91/180279391.db2.gz UGXSEBVZCDXBJA-LSDHHAIUSA-N 0 0 254.289 2.198 10 30 CEEERN COc1ccc([C@@H](O)[C@@]2(C#N)CCOC2)cc1OC(F)F ZINC000091880065 180279404 /nfs/dbraw/zinc/27/94/04/180279404.db2.gz XGKGJUVSFXSWQM-TZMCWYRMSA-N 0 0 299.273 2.260 10 30 CEEERN N#C[C@@]1([C@H](O)C2CCOCC2)CCc2ccccc2C1 ZINC000091884324 180279948 /nfs/dbraw/zinc/27/99/48/180279948.db2.gz WEGGAMOFTQFPKD-IAGOWNOFSA-N 0 0 271.360 2.473 10 30 CEEERN N#C[C@]1([C@@H](O)c2cccc3cccnc32)CCOC1 ZINC000091885070 180279976 /nfs/dbraw/zinc/27/99/76/180279976.db2.gz GTMKLLMKJKZVTD-LSDHHAIUSA-N 0 0 254.289 2.198 10 30 CEEERN N#C[C@@]1([C@@H](O)C2CCOCC2)CCOc2ccccc21 ZINC000091884311 180280134 /nfs/dbraw/zinc/28/01/34/180280134.db2.gz AJTMREPBBJUSMW-HOTGVXAUSA-N 0 0 273.332 2.018 10 30 CEEERN CC[C@@](O)(COC)[C@]1(C#N)CCc2ccccc2C1 ZINC000091886265 180280161 /nfs/dbraw/zinc/28/01/61/180280161.db2.gz CSTMLEXVHGYQLM-HZPDHXFCSA-N 0 0 259.349 2.473 10 30 CEEERN CS(=O)(=O)[C@@H]1CCC[C@]1(O)C1(C#N)CCCCCC1 ZINC000091888149 180281333 /nfs/dbraw/zinc/28/13/33/180281333.db2.gz BKZWHIPHOZAXPR-TZMCWYRMSA-N 0 0 285.409 2.179 10 30 CEEERN CCn1cncc1[C@@H](O)[C@@]1(C#N)COc2ccccc2C1 ZINC000091904402 180282824 /nfs/dbraw/zinc/28/28/24/180282824.db2.gz YJYDCCYPFMAHMG-CVEARBPZSA-N 0 0 283.331 2.081 10 30 CEEERN N#C[C@]1(C2(O)CCC(=O)CC2)CCOc2ccccc21 ZINC000091903782 180282919 /nfs/dbraw/zinc/28/29/19/180282919.db2.gz FCPMOXNCCIQHRD-OAHLLOKOSA-N 0 0 271.316 2.105 10 30 CEEERN C[C@H]1CC[C@](C#N)(C2(O)CCC3(CC2)OCCO3)C1 ZINC000091903768 180283081 /nfs/dbraw/zinc/28/30/81/180283081.db2.gz KOOHQVNCTWGINR-STQMWFEESA-N 0 0 265.353 2.365 10 30 CEEERN N#C[C@]1([C@@]2(O)CCCOCC2)CCOc2ccccc21 ZINC000091903158 180283201 /nfs/dbraw/zinc/28/32/01/180283201.db2.gz PCAZECAMUOAMQC-HZPDHXFCSA-N 0 0 273.332 2.162 10 30 CEEERN O=C(NCc1cccc(C#CCO)c1)N1CCCCCC1 ZINC000091971812 180295477 /nfs/dbraw/zinc/29/54/77/180295477.db2.gz SYLQJRCEEQSGIU-UHFFFAOYSA-N 0 0 286.375 2.116 10 30 CEEERN C[C@H]1CCCN(C(=O)Nc2ccc(C#CCO)cc2)C1 ZINC000091992129 180300294 /nfs/dbraw/zinc/30/02/94/180300294.db2.gz WRLVTGHVTJDVBU-ZDUSSCGKSA-N 0 0 272.348 2.294 10 30 CEEERN CC1CCN(C(=O)Nc2ccccc2C#CCO)CC1 ZINC000091992125 180300619 /nfs/dbraw/zinc/30/06/19/180300619.db2.gz NLMGKFYBGKLIDX-UHFFFAOYSA-N 0 0 272.348 2.294 10 30 CEEERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000336309355 295807963 /nfs/dbraw/zinc/80/79/63/295807963.db2.gz LGURBCHUXKJHHX-IUCAKERBSA-N 0 0 298.330 2.281 10 30 CEEERN CC[C@@H](C#N)N1CCN(C/C(Cl)=C/Cl)CC1 ZINC000092025863 180308871 /nfs/dbraw/zinc/30/88/71/180308871.db2.gz ADQXYVKEUWLIKU-BRNRAETOSA-N 0 0 262.184 2.225 10 30 CEEERN C[C@@H]1CN(C(=O)c2ccc(C#CCCO)cc2F)C[C@H]1C ZINC000092112171 180327255 /nfs/dbraw/zinc/32/72/55/180327255.db2.gz LDSQOUVWPBIZBP-CHWSQXEVSA-N 0 0 289.350 2.288 10 30 CEEERN N#Cc1cc(NC(=O)CCCCO)ccc1Cl ZINC000092174055 180337056 /nfs/dbraw/zinc/33/70/56/180337056.db2.gz RHVUWGLNSBIZQL-UHFFFAOYSA-N 0 0 252.701 2.313 10 30 CEEERN Cc1ccc(C#N)cc1N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000106596327 186128000 /nfs/dbraw/zinc/12/80/00/186128000.db2.gz XJHZLYKSSYXLSP-BETUJISGSA-N 0 0 266.300 2.322 10 30 CEEERN C=CCn1c(N)c(-c2cnn(C)c2)nc1C(C)(C)C ZINC000106838986 186138892 /nfs/dbraw/zinc/13/88/92/186138892.db2.gz FLORXFWZPVRXII-UHFFFAOYSA-N 0 0 259.357 2.349 10 30 CEEERN C#CCn1c(N)c(-c2ccc3c(c2)CCO3)nc1CC ZINC000106834209 186139126 /nfs/dbraw/zinc/13/91/26/186139126.db2.gz LVDWBWRLNIQQMJ-UHFFFAOYSA-N 0 0 267.332 2.263 10 30 CEEERN C#CC[N@@H+](CC(=O)[O-])C1CCC(C(F)(F)F)CC1 ZINC000092492003 180395667 /nfs/dbraw/zinc/39/56/67/180395667.db2.gz VOCYNBJOZRLMJD-UHFFFAOYSA-N 0 0 263.259 2.127 10 30 CEEERN CC[C@H](C)N1C(=O)C[C@H](Nc2ccc(F)c(C#N)c2)C1=O ZINC000106925646 186151608 /nfs/dbraw/zinc/15/16/08/186151608.db2.gz XGEVBKOKKXGZDZ-ZANVPECISA-N 0 0 289.310 2.035 10 30 CEEERN CC(C)(C)N1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000092460548 180389729 /nfs/dbraw/zinc/38/97/29/180389729.db2.gz LKLXRKGQAACQLH-UHFFFAOYSA-N 0 0 257.293 2.125 10 30 CEEERN CCC[C@@H](C#N)C(=O)NCc1ccc(OC)cc1OC ZINC000109555109 186262595 /nfs/dbraw/zinc/26/25/95/186262595.db2.gz CKPJZKDXPNQVLV-NSHDSACASA-N 0 0 276.336 2.260 10 30 CEEERN C[C@@H](C#N)N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000109448512 186252885 /nfs/dbraw/zinc/25/28/85/186252885.db2.gz DBSNVEPHMDSZJF-NSHDSACASA-N 0 0 292.770 2.402 10 30 CEEERN CCC[C@H](C#N)N1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC000109447124 186252931 /nfs/dbraw/zinc/25/29/31/186252931.db2.gz VUQYKKKEYXPYCW-UONOGXRCSA-N 0 0 265.401 2.259 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000109445817 186253173 /nfs/dbraw/zinc/25/31/73/186253173.db2.gz GHPAACGQPHAQRU-GFCCVEGCSA-N 0 0 293.317 2.025 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000109446095 186253182 /nfs/dbraw/zinc/25/31/82/186253182.db2.gz ZFOGJCUSYIJEJQ-LBPRGKRZSA-N 0 0 293.317 2.025 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000109448732 186253194 /nfs/dbraw/zinc/25/31/94/186253194.db2.gz YUIBEOQPVKSLJV-AWEZNQCLSA-N 0 0 290.342 2.277 10 30 CEEERN CCC[C@H](C#N)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000109457420 186253500 /nfs/dbraw/zinc/25/35/00/186253500.db2.gz HOGDFCBZJBZVJD-CQSZACIVSA-N 0 0 276.384 2.101 10 30 CEEERN CCC[C@H](C#N)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000109456985 186254420 /nfs/dbraw/zinc/25/44/20/186254420.db2.gz LPFZJXLCOOMDSL-QGZVFWFLSA-N 0 0 282.391 2.368 10 30 CEEERN C=CC[NH2+][C@@H](C(=O)[O-])c1ccc(OC)c(OC)c1Cl ZINC000110830618 186327631 /nfs/dbraw/zinc/32/76/31/186327631.db2.gz OVXIHCUKAMVKIM-LLVKDONJSA-N 0 0 285.727 2.259 10 30 CEEERN C[C@@H]1CC[C@@H](C#N)[C@H](SCCS(C)(=O)=O)C1 ZINC000110871492 186329313 /nfs/dbraw/zinc/32/93/13/186329313.db2.gz CBRINTQMJPYNSI-OUAUKWLOSA-N 0 0 261.412 2.093 10 30 CEEERN COC(=O)C[C@H](C)n1c(CC#N)nc2ccccc21 ZINC000110951892 186337060 /nfs/dbraw/zinc/33/70/60/186337060.db2.gz XVBRUJAFXGZYNJ-JTQLQIEISA-N 0 0 257.293 2.226 10 30 CEEERN C[C@H](CC#N)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111008288 186341974 /nfs/dbraw/zinc/34/19/74/186341974.db2.gz RDGNLIFHWDOMIK-SSDOTTSWSA-N 0 0 267.672 2.280 10 30 CEEERN COCCCN(CCOC)c1ccc(F)cc1C#N ZINC000111036352 186346837 /nfs/dbraw/zinc/34/68/37/186346837.db2.gz DITALYOFEYBEKJ-UHFFFAOYSA-N 0 0 266.316 2.187 10 30 CEEERN O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C#CCO)s1 ZINC000111102329 186352315 /nfs/dbraw/zinc/35/23/15/186352315.db2.gz BGNCGKSMIMJMRX-XQQFMLRXSA-N 0 0 289.400 2.258 10 30 CEEERN O=C(NCC1CCC1)c1sccc1C#CCCO ZINC000111531855 186427088 /nfs/dbraw/zinc/42/70/88/186427088.db2.gz ZUEVZCQVAJNTJC-UHFFFAOYSA-N 0 0 263.362 2.012 10 30 CEEERN CCOC(=O)c1cccc(SCCC#N)c1N ZINC000111621826 186432908 /nfs/dbraw/zinc/43/29/08/186432908.db2.gz CKCWWLOJBVSYLV-UHFFFAOYSA-N 0 0 250.323 2.451 10 30 CEEERN Cc1cnn([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)c1 ZINC000123015932 187066248 /nfs/dbraw/zinc/06/62/48/187066248.db2.gz OFKMYEQSLPYUSU-CYBMUJFWSA-N 0 0 270.336 2.493 10 30 CEEERN C=CCN(C)C(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000161731506 188543165 /nfs/dbraw/zinc/54/31/65/188543165.db2.gz ZIDKCEHOFFLORV-HIFRSBDPSA-N 0 0 288.391 2.476 10 30 CEEERN COC(=O)Cc1ccc(F)c(C#N)c1OC(F)(F)F ZINC000575390524 366267591 /nfs/dbraw/zinc/26/75/91/366267591.db2.gz SWZDYURGPJGARH-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN COC(=O)c1cc(C=O)c(C#N)cc1C(F)(F)F ZINC000575391276 366268928 /nfs/dbraw/zinc/26/89/28/366268928.db2.gz IZTRUTHUCXTLKX-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN CCOC(=O)c1cc(O)c(C#N)c(OC(F)(F)F)c1 ZINC000575391912 366269582 /nfs/dbraw/zinc/26/95/82/366269582.db2.gz VACOVYKYEIJNIQ-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN CCOC(=O)c1ccc(C#N)c(OC(F)(F)F)c1O ZINC000575391721 366269626 /nfs/dbraw/zinc/26/96/26/366269626.db2.gz MEHRYAOQTDXSET-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(C)c1OC(F)(F)F ZINC000575395314 366275084 /nfs/dbraw/zinc/27/50/84/366275084.db2.gz XSPCLKMFUFGUHB-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN C#CCNc1ccc(I)cc1F ZINC000575494311 366291522 /nfs/dbraw/zinc/29/15/22/366291522.db2.gz XJEHXAVFIWCQOI-UHFFFAOYSA-N 0 0 275.064 2.475 10 30 CEEERN N#Cc1ccc(N[C@H]2CCOc3ccccc32)nn1 ZINC000301943028 283181534 /nfs/dbraw/zinc/18/15/34/283181534.db2.gz VWBTVZAKGRGWAH-LBPRGKRZSA-N 0 0 252.277 2.284 10 30 CEEERN CCOc1cc(C#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575656167 366315248 /nfs/dbraw/zinc/31/52/48/366315248.db2.gz DADXBCUGKSFHRM-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN CCOc1ccc(OC(F)F)c([N+](=O)[O-])c1C#N ZINC000575659782 366320041 /nfs/dbraw/zinc/32/00/41/366320041.db2.gz ZBWGECYSJCSNSK-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCCn2ncnc21 ZINC000175971046 188974724 /nfs/dbraw/zinc/97/47/24/188974724.db2.gz JQIVIJYNYMYUNH-LBPRGKRZSA-N 0 0 296.334 2.115 10 30 CEEERN N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179225789 189178967 /nfs/dbraw/zinc/17/89/67/189178967.db2.gz MWQOXCCNDIYNQC-UETGSQEOSA-N 0 0 284.359 2.239 10 30 CEEERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000299606695 200799876 /nfs/dbraw/zinc/79/98/76/200799876.db2.gz DGAFNUFJSYWAQZ-OAHLLOKOSA-N 0 0 299.374 2.079 10 30 CEEERN C=CC[C@@H](C)NC(=O)C1CCC(C(=O)OC)CC1 ZINC000180232460 189245141 /nfs/dbraw/zinc/24/51/41/189245141.db2.gz LVUUIIORCLZJAY-VOMCLLRMSA-N 0 0 253.342 2.047 10 30 CEEERN COc1cccc([S@@](=O)c2cccc(N)c2C#N)c1 ZINC000000020471 361116478 /nfs/dbraw/zinc/11/64/78/361116478.db2.gz DTAPEXKJTDIXLQ-IBGZPJMESA-N 0 0 272.329 2.316 10 30 CEEERN NS(=O)(=O)c1ccc(/N=C\c2cccs2)cc1 ZINC000000100814 361127832 /nfs/dbraw/zinc/12/78/32/361127832.db2.gz GEMQRGKDDYYXOV-JYRVWZFOSA-N 0 0 266.347 2.146 10 30 CEEERN CC(=O)C(=CNc1cccnc1)C(=O)C(F)(F)F ZINC000100038635 364539195 /nfs/dbraw/zinc/53/91/95/364539195.db2.gz ILPYURMXGSBYCX-RMKNXTFCSA-N 0 0 258.199 2.098 10 30 CEEERN C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482205 364947326 /nfs/dbraw/zinc/94/73/26/364947326.db2.gz SCKWZKFJAOBDPH-OAHLLOKOSA-N 0 0 288.395 2.137 10 30 CEEERN N#Cc1ccc(CN2CCC[C@H](n3cncn3)C2)s1 ZINC000119523425 365286178 /nfs/dbraw/zinc/28/61/78/365286178.db2.gz YYYNQYMQFWYCKV-NSHDSACASA-N 0 0 273.365 2.048 10 30 CEEERN N#Cc1cc(F)c(C(=O)NC[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000120299489 365403794 /nfs/dbraw/zinc/40/37/94/365403794.db2.gz TVCCZCAVDWZNTN-GWCFXTLKSA-N 0 0 294.301 2.117 10 30 CEEERN C=C(C)CNC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161163201 367063669 /nfs/dbraw/zinc/06/36/69/367063669.db2.gz MBUYISHENHIBMX-RYUDHWBXSA-N 0 0 282.384 2.372 10 30 CEEERN N#Cc1cc(N)cc(-c2ccc(C(N)=O)c3[nH]ccc32)c1 ZINC000584619644 367173977 /nfs/dbraw/zinc/17/39/77/367173977.db2.gz WOBZDDLCYDQRLN-UHFFFAOYSA-N 0 0 276.299 2.388 10 30 CEEERN C[C@H]1C[C@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000170807835 367420567 /nfs/dbraw/zinc/42/05/67/367420567.db2.gz GLXKXQDGMTUSDZ-SMDDNHRTSA-N 0 0 289.404 2.499 10 30 CEEERN Cc1cnn(CCNC(=O)Nc2cc(C#N)ccc2C)c1 ZINC000172245924 367704600 /nfs/dbraw/zinc/70/46/00/367704600.db2.gz JQUCNDPXSKBDDL-UHFFFAOYSA-N 0 0 283.335 2.193 10 30 CEEERN N#Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000176343059 368227637 /nfs/dbraw/zinc/22/76/37/368227637.db2.gz XSDIGFWMCJXIEQ-OAHLLOKOSA-N 0 0 295.346 2.451 10 30 CEEERN C[C@H](COCc1ccccc1)NC(=O)c1cc(C#N)c[nH]1 ZINC000176009357 368196663 /nfs/dbraw/zinc/19/66/63/368196663.db2.gz KUBDQSHNPOGREX-GFCCVEGCSA-N 0 0 283.331 2.221 10 30 CEEERN C[C@H](C#N)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000182693509 368581733 /nfs/dbraw/zinc/58/17/33/368581733.db2.gz ZBGGWQIUISSHPL-OLZOCXBDSA-N 0 0 297.362 2.392 10 30 CEEERN C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1cccs1 ZINC000183762046 368648288 /nfs/dbraw/zinc/64/82/88/368648288.db2.gz OWBIWWGRGMNKCP-VIFPVBQESA-N 0 0 270.379 2.032 10 30 CEEERN CC[C@H](C#N)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000160844086 261228449 /nfs/dbraw/zinc/22/84/49/261228449.db2.gz XRXWSAPFWYEEJP-GFCCVEGCSA-N 0 0 266.366 2.192 10 30 CEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccoc1Br ZINC000232470854 370505244 /nfs/dbraw/zinc/50/52/44/370505244.db2.gz OBOLOYWNJJTOQR-VXNVDRBHSA-N 0 0 283.125 2.464 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C[C@H](NC(=O)C#CBr)c1cccs1 ZINC000307425813 376565868 /nfs/dbraw/zinc/56/58/68/376565868.db2.gz PSXGKOUUNQDFJQ-ZETCQYMHSA-N 0 0 258.140 2.281 10 30 CEEERN C=CCO[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000302133274 379323085 /nfs/dbraw/zinc/32/30/85/379323085.db2.gz HENORSOGNNVICW-LLVKDONJSA-N 0 0 263.297 2.080 10 30 CEEERN N#Cc1nc(NCc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000302666802 379417500 /nfs/dbraw/zinc/41/75/00/379417500.db2.gz CJIGPEXKENETIK-UHFFFAOYSA-N 0 0 299.246 2.382 10 30 CEEERN C#CC(=O)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000405609472 542273165 /nfs/dbraw/zinc/27/31/65/542273165.db2.gz KGFLIVXMRGPOCZ-WDEREUQCSA-N 0 0 251.326 2.224 10 30 CEEERN C#CCC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405628210 542273361 /nfs/dbraw/zinc/27/33/61/542273361.db2.gz WWHWWZYRQRSLRV-MNOVXSKESA-N 0 0 251.326 2.224 10 30 CEEERN CCOC(=O)Nc1ccc(F)cc1C#CCCO ZINC000037551932 184540141 /nfs/dbraw/zinc/54/01/41/184540141.db2.gz RWCZZIUOBNEUAB-UHFFFAOYSA-N 0 0 251.257 2.128 10 30 CEEERN N#CCOc1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000040807684 184547845 /nfs/dbraw/zinc/54/78/45/184547845.db2.gz RQMKLHCCACICLQ-UHFFFAOYSA-N 0 0 267.288 2.423 10 30 CEEERN COc1ccc(CNC(=O)[C@@H](C#N)C(C)C)cc1OC ZINC000044823134 184560520 /nfs/dbraw/zinc/56/05/20/184560520.db2.gz GOXKORWCIAUADO-LBPRGKRZSA-N 0 0 276.336 2.116 10 30 CEEERN C[C@H](c1cccc(C#N)c1)[N@@H+](CC(=O)[O-])CC1CC1 ZINC000086734182 184611721 /nfs/dbraw/zinc/61/17/21/184611721.db2.gz XQMJUKJIWOIDLB-LLVKDONJSA-N 0 0 258.321 2.416 10 30 CEEERN C[C@@H]1C[C@@H](CNC(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000281011199 195068755 /nfs/dbraw/zinc/06/87/55/195068755.db2.gz BLECKZUBAVPISI-DABQJJPHSA-N 0 0 272.348 2.492 10 30 CEEERN CCN(C[C@H](C)C#N)c1ncnc2ccc(N)cc21 ZINC000081592191 177827441 /nfs/dbraw/zinc/82/74/41/177827441.db2.gz BXEDFDVFBAYBCS-SNVBAGLBSA-N 0 0 255.325 2.198 10 30 CEEERN Cc1csc([C@H](C)Nc2ncc(N)cc2C#N)n1 ZINC000080264256 177633464 /nfs/dbraw/zinc/63/34/64/177633464.db2.gz WWIZLDAQCXGSER-QMMMGPOBSA-N 0 0 259.338 2.474 10 30 CEEERN CCN[C@]1(C#N)CCC[C@@H]1CCOCCCOC ZINC000093576875 184692172 /nfs/dbraw/zinc/69/21/72/184692172.db2.gz YRIBWZRWRYIVBA-KGLIPLIRSA-N 0 0 254.374 2.102 10 30 CEEERN COc1csc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000093655703 184703519 /nfs/dbraw/zinc/70/35/19/184703519.db2.gz OCYMDKCDFLPHNS-WPRPVWTQSA-N 0 0 250.323 2.179 10 30 CEEERN Cc1nnc(S[C@H]2CCC[C@@](C#N)(NC3CC3)C2)o1 ZINC000093747311 184711790 /nfs/dbraw/zinc/71/17/90/184711790.db2.gz DOHWPGXAFVQLMP-WCQYABFASA-N 0 0 278.381 2.427 10 30 CEEERN C[C@H]1CCC[C@@H]1NC(=O)c1csc(C#CCO)c1 ZINC000093975098 184747284 /nfs/dbraw/zinc/74/72/84/184747284.db2.gz UGUGBQZGZSPPEB-GWCFXTLKSA-N 0 0 263.362 2.010 10 30 CEEERN Cc1nccn1Cc1cc(F)cc(C#CCCO)c1 ZINC000093982007 184748305 /nfs/dbraw/zinc/74/83/05/184748305.db2.gz WZGNQGTWYLOBIV-UHFFFAOYSA-N 0 0 258.296 2.113 10 30 CEEERN C=CCN1c2ccccc2C(=O)N[C@H](CC(C)C)C1=O ZINC000094419929 184795113 /nfs/dbraw/zinc/79/51/13/184795113.db2.gz LGPDDWPELMNTHA-CYBMUJFWSA-N 0 0 272.348 2.364 10 30 CEEERN CC[C@@H]1CC(=O)N(Cc2ccc(C#CCCO)cc2)C1 ZINC000094794097 184865444 /nfs/dbraw/zinc/86/54/44/184865444.db2.gz LRJXLLZXPVHHOD-CQSZACIVSA-N 0 0 271.360 2.179 10 30 CEEERN Cc1cc(C(=O)NCc2ccco2)sc1C#CCCO ZINC000094533332 184814477 /nfs/dbraw/zinc/81/44/77/184814477.db2.gz QRADBHNKGXTEIK-UHFFFAOYSA-N 0 0 289.356 2.313 10 30 CEEERN CN(CCc1ccncc1)c1ccc(C#N)c(N)c1 ZINC000094590419 184822586 /nfs/dbraw/zinc/82/25/86/184822586.db2.gz IUEJTOXJTSGQQX-UHFFFAOYSA-N 0 0 252.321 2.214 10 30 CEEERN C[C@@H]1OCCC[C@H]1C(=O)Oc1ccc(C#N)cc1F ZINC000191928194 130331223 /nfs/dbraw/zinc/33/12/23/130331223.db2.gz JESDDJDJBKWCBU-GXSJLCMTSA-N 0 0 263.268 2.418 10 30 CEEERN N#Cc1cccc(N2C(=O)N[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000085326568 135035947 /nfs/dbraw/zinc/03/59/47/135035947.db2.gz IDKMTSRMDGIFCN-CHWSQXEVSA-N 0 0 269.304 2.173 10 30 CEEERN COC(=O)c1c(Br)ccc(C)c1C#N ZINC000306169612 394514027 /nfs/dbraw/zinc/51/40/27/394514027.db2.gz AOZUYHKOOADOTO-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)s1 ZINC000061889580 394569019 /nfs/dbraw/zinc/56/90/19/394569019.db2.gz ZXUJNPXOHPYWMF-ZJUUUORDSA-N 0 0 270.379 2.027 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCCC1 ZINC000061889866 394569153 /nfs/dbraw/zinc/56/91/53/394569153.db2.gz UAMFKENQFFEHKT-STQMWFEESA-N 0 0 270.398 2.178 10 30 CEEERN CC(C)(C)OC(=O)N1CC[C@@](C)(C=NO)[C@H](F)C1 ZINC000309878091 394532902 /nfs/dbraw/zinc/53/29/02/394532902.db2.gz XOKYQYAOCSZDMU-SKDRFNHKSA-N 0 0 260.309 2.432 10 30 CEEERN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H](C)O1 ZINC000077499937 394622976 /nfs/dbraw/zinc/62/29/76/394622976.db2.gz PLNKEHGNGZUSHW-NXEZZACHSA-N 0 0 277.299 2.338 10 30 CEEERN N#Cc1c(Cl)nsc1N1CCN2CCCC[C@@H]2C1 ZINC000264916546 394642196 /nfs/dbraw/zinc/64/21/96/394642196.db2.gz KWGURUNDTTWMMI-SECBINFHSA-N 0 0 282.800 2.343 10 30 CEEERN N#CCCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121547411 394799355 /nfs/dbraw/zinc/79/93/55/394799355.db2.gz BMIWKNZROZTFNY-BXUZGUMPSA-N 0 0 266.291 2.376 10 30 CEEERN COc1ccc([C@H]2OCC[C@@H]2Nc2cccc(C#N)n2)cn1 ZINC000282886290 394926055 /nfs/dbraw/zinc/92/60/55/394926055.db2.gz DVRIRADYZGHJFW-XJKSGUPXSA-N 0 0 296.330 2.299 10 30 CEEERN COC[C@@H](C)C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000182087223 395232544 /nfs/dbraw/zinc/23/25/44/395232544.db2.gz DVNSHMUGIXKACA-GHMZBOCLSA-N 0 0 262.309 2.198 10 30 CEEERN COC(=O)c1c(C#N)cc([N+](=O)[O-])cc1C(F)F ZINC000575344213 395660315 /nfs/dbraw/zinc/66/03/15/395660315.db2.gz VQMQRHKWETVPPB-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN CCOC(=O)Cc1cc(Cl)c(C=O)c(C#N)c1 ZINC000575382705 395662358 /nfs/dbraw/zinc/66/23/58/395662358.db2.gz FJOLBLKBZCEZSU-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1c(F)cc(OC(F)F)cc1C#N ZINC000575385791 395662922 /nfs/dbraw/zinc/66/29/22/395662922.db2.gz LJURWNYIEZUBEA-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)c1c(CO)c(C#N)ccc1C(F)F ZINC000575387784 395663462 /nfs/dbraw/zinc/66/34/62/395663462.db2.gz OFBPJAAXYUQSSJ-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN COC(=O)Cc1cc(C#N)cc(C(F)F)c1C=O ZINC000575387641 395663463 /nfs/dbraw/zinc/66/34/63/395663463.db2.gz KJQALNHAFXJMOG-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN CCOC(=O)Cc1ccc(OC(F)F)c(C#N)c1OC ZINC000575388188 395663623 /nfs/dbraw/zinc/66/36/23/395663623.db2.gz ADFIIVNSBRGEDB-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN CCOC(=O)c1ccc(OC)c(C#N)c1OC(F)F ZINC000575388666 395663831 /nfs/dbraw/zinc/66/38/31/395663831.db2.gz REUGYUUQIIEKIO-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN CCOC(=O)c1cc(C=O)c(C(F)F)cc1C#N ZINC000575389937 395663997 /nfs/dbraw/zinc/66/39/97/395663997.db2.gz VGROWJHBZLHOIU-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN COc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1F ZINC000061888510 286289038 /nfs/dbraw/zinc/28/90/38/286289038.db2.gz VLOJKLJVWGCWDA-JQWIXIFHSA-N 0 0 262.284 2.256 10 30 CEEERN N#C[C@H]1CCC[C@H]1n1cc(I)cn1 ZINC000070677591 176001053 /nfs/dbraw/zinc/00/10/53/176001053.db2.gz OFXFHHCBUSRCPN-VXNVDRBHSA-N 0 0 287.104 2.352 10 30 CEEERN N#Cc1nc(NCc2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000302777412 154191056 /nfs/dbraw/zinc/19/10/56/154191056.db2.gz PKWPQDAYXCBJPI-UHFFFAOYSA-N 0 0 299.246 2.382 10 30 CEEERN C[C@@H](Nc1ccc(C#N)cn1)C(=O)N1CCc2ccccc21 ZINC000301151492 162573701 /nfs/dbraw/zinc/57/37/01/162573701.db2.gz DHXMYAHOGCMJFS-GFCCVEGCSA-N 0 0 292.342 2.343 10 30 CEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000181296858 165338062 /nfs/dbraw/zinc/33/80/62/165338062.db2.gz XVLIKCQMFPSJQC-AWEZNQCLSA-N 0 0 297.362 2.214 10 30 CEEERN CC(=O)O/N=C(\C)c1csc(-c2ccno2)n1 ZINC000004710116 170002906 /nfs/dbraw/zinc/00/29/06/170002906.db2.gz FSSJHQDPFXOKPI-AWNIVKPZSA-N 0 0 251.267 2.085 10 30 CEEERN CC(C)(C)OC(=O)N/C=C1\C(=O)Oc2ccccc2C1=O ZINC000005955849 170162077 /nfs/dbraw/zinc/16/20/77/170162077.db2.gz PICZVLYQJFRBAM-NTMALXAHSA-N 0 0 289.287 2.197 10 30 CEEERN CCCCCN(C)S(=O)(=O)c1ccccc1C#N ZINC000006592105 170217383 /nfs/dbraw/zinc/21/73/83/170217383.db2.gz WAHWBHXSMAKJIF-UHFFFAOYSA-N 0 0 266.366 2.369 10 30 CEEERN COC[C@@H]1C[C@H](OC)CN1c1ccc(C#N)c(Cl)c1 ZINC000284437537 196054585 /nfs/dbraw/zinc/05/45/85/196054585.db2.gz BHLJTVWFVMLQSL-STQMWFEESA-N 0 0 280.755 2.452 10 30 CEEERN C[C@@H](C(=O)N1CCCC1)N(CCC#N)c1ccccc1 ZINC000020358716 171157759 /nfs/dbraw/zinc/15/77/59/171157759.db2.gz QLCHLUKJAIGCST-AWEZNQCLSA-N 0 0 271.364 2.418 10 30 CEEERN C=CCn1c(COC)nnc1SCC(=O)OC(C)(C)C ZINC000020426128 171192613 /nfs/dbraw/zinc/19/26/13/171192613.db2.gz XPSKLAKGURRWKU-UHFFFAOYSA-N 0 0 299.396 2.044 10 30 CEEERN Cc1nn(C)c(Oc2ccc(CC#N)cc2)c1CO ZINC000020468711 171210585 /nfs/dbraw/zinc/21/05/85/171210585.db2.gz RAPIRPARBCLDDO-UHFFFAOYSA-N 0 0 257.293 2.079 10 30 CEEERN CCCN1CN(CCOC)CC2=C1CC(C)(C)CC2=O ZINC000022239216 171381488 /nfs/dbraw/zinc/38/14/88/171381488.db2.gz YWLUZTPGOIYYGZ-UHFFFAOYSA-N 0 0 280.412 2.261 10 30 CEEERN CN(C)N=Cc1ccc([C@@H](O)C(=O)c2cccs2)o1 ZINC000033724170 171819007 /nfs/dbraw/zinc/81/90/07/171819007.db2.gz NHJAJMIHBSNOLP-UGMNDJHYSA-N 0 0 278.333 2.153 10 30 CEEERN 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CC(=O)Nc1cc(N)c(C#N)c(-c2ccc(C(C)=O)cc2)n1 ZINC000115333641 526916901 /nfs/dbraw/zinc/91/69/01/526916901.db2.gz HQRAEGSAXAQEKO-UHFFFAOYSA-N 0 0 294.314 2.363 10 30 CEEERN Cc1ncsc1CCOCc1cccnc1C#N ZINC000061664777 527490852 /nfs/dbraw/zinc/49/08/52/527490852.db2.gz DMYFFFGJCKUVNN-UHFFFAOYSA-N 0 0 259.334 2.478 10 30 CEEERN CC(C)[C@@H](C)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000174742881 528417033 /nfs/dbraw/zinc/41/70/33/528417033.db2.gz KNKRNQIHLPTXLU-GFCCVEGCSA-N 0 0 275.352 2.281 10 30 CEEERN C=C[C@@H](O)C#CC#CC[C@@H](O)[C@@H](O)CCCCCCC ZINC000070454158 560048644 /nfs/dbraw/zinc/04/86/44/560048644.db2.gz RDIMTXDFGHNINN-IXDOHACOSA-N 0 0 278.392 2.013 10 30 biogenic,in-man CEEERN CC(=O)ON=c1[nH]c2c(ccc3ncccc23)n1C ZINC000005114205 560200579 /nfs/dbraw/zinc/20/05/79/560200579.db2.gz ZNLLBBZONQYLII-UHFFFAOYSA-N 0 0 256.265 2.012 10 30 in-vitro CEEERN Oc1ccc(/C=N\[C@H]2COc3ccccc32)c(O)c1O ZINC000255055771 622920182 /nfs/dbraw/zinc/92/01/82/622920182.db2.gz HSGQLPVLJZSLNA-FQKZPNAISA-N 0 0 271.272 2.356 10 30 CEEERN CC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000234106712 623171656 /nfs/dbraw/zinc/17/16/56/623171656.db2.gz LXMJIWARRAQIIX-WCQYABFASA-N 0 0 262.284 2.451 10 30 CEEERN CC[C@H]1OCC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000234139519 623204070 /nfs/dbraw/zinc/20/40/70/623204070.db2.gz NKXIVWNWQWAJLM-TZMCWYRMSA-N 0 0 276.311 2.129 10 30 CEEERN C=C(C)CCOC(=O)C1CCC(C(=O)OC)CC1 ZINC000181154964 627372414 /nfs/dbraw/zinc/37/24/14/627372414.db2.gz SPCZWUROWCOBOP-UHFFFAOYSA-N 0 0 254.326 2.475 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Br)n1 ZINC000224095171 628873414 /nfs/dbraw/zinc/87/34/14/628873414.db2.gz NIWKCZYNQNRPIT-BDAKNGLRSA-N 0 0 294.152 2.266 10 30 CEEERN [O-]C(=[NH+][C@H]1CCc2ccccc21)N1CCc2cncnc2C1 ZINC000329245842 629257731 /nfs/dbraw/zinc/25/77/31/629257731.db2.gz AJNFUQJVKSAWKH-HNNXBMFYSA-N 0 0 294.358 2.436 10 30 CEEERN C#CCCCOC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000170712773 640968376 /nfs/dbraw/zinc/96/83/76/640968376.db2.gz JSAQEMFFQHCURN-AWEZNQCLSA-N 0 0 267.369 2.130 10 30 CEEERN C=CCOC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000069199326 641509311 /nfs/dbraw/zinc/50/93/11/641509311.db2.gz DAICCIKLZLSATJ-CQSZACIVSA-N 0 0 275.348 2.479 10 30 CEEERN CC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)C(C)C ZINC000070398049 641664252 /nfs/dbraw/zinc/66/42/52/641664252.db2.gz LZXXKEYOHIPMFT-GFCCVEGCSA-N 0 0 284.356 2.410 10 30 CEEERN CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000131756782 652459718 /nfs/dbraw/zinc/45/97/18/652459718.db2.gz CKRJEDHDVBJLGG-XVSSEFHLSA-N 0 0 279.384 2.324 10 30 CEEERN CCOC(=C=O)C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095630361 185017017 /nfs/dbraw/zinc/01/70/17/185017017.db2.gz VIWHONXEZYAXFD-LLVKDONJSA-N 0 0 297.351 2.097 10 30 CEEERN N#Cc1cc(I)c(OC2CC2)cn1 ZINC000095736507 185024297 /nfs/dbraw/zinc/02/42/97/185024297.db2.gz NIZQMZMEPJFJMQ-UHFFFAOYSA-N 0 0 286.072 2.099 10 30 CEEERN CN[C@]1(C#N)CCc2cc(Br)ccc2C1 ZINC000082491579 178059052 /nfs/dbraw/zinc/05/90/52/178059052.db2.gz HWRPHSTVVVBZPM-GFCCVEGCSA-N 0 0 265.154 2.420 10 30 CEEERN CC(=O)c1cc(C#N)cc(CCNC(=O)OC(C)(C)C)n1 ZINC000095767838 185027147 /nfs/dbraw/zinc/02/71/47/185027147.db2.gz VLIUPOFTZFMUER-UHFFFAOYSA-N 0 0 289.335 2.223 10 30 CEEERN CC(=O)c1cc(C#N)nc(CNC(=O)OC(C)(C)C)c1 ZINC000095766642 185027419 /nfs/dbraw/zinc/02/74/19/185027419.db2.gz ILURVEUFEPEFJW-UHFFFAOYSA-N 0 0 275.308 2.181 10 30 CEEERN N#Cc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(N)c1 ZINC000096601627 185108213 /nfs/dbraw/zinc/10/82/13/185108213.db2.gz ODRLJEUYCCUUTJ-UHFFFAOYSA-N 0 0 283.331 2.354 10 30 CEEERN C=CCN(CCCOc1ccc(C(=O)OC)cc1)C(C)=O ZINC000096775619 185112439 /nfs/dbraw/zinc/11/24/39/185112439.db2.gz QQOHEISAQBPDMJ-UHFFFAOYSA-N 0 0 291.347 2.277 10 30 CEEERN CC(=O)O[C@@H](C)c1ccc2occ(C#N)c(=O)c2c1 ZINC000060132231 343655188 /nfs/dbraw/zinc/65/51/88/343655188.db2.gz ODVWQMAIPMRLIM-QMMMGPOBSA-N 0 0 257.245 2.289 10 30 CEEERN COC(=O)c1cc(N(C)[C@@H](C)CC#N)ccc1[N+](=O)[O-] ZINC000092663278 344198704 /nfs/dbraw/zinc/19/87/04/344198704.db2.gz QNAMRAPQZNYVRM-VIFPVBQESA-N 0 0 277.280 2.120 10 30 CEEERN COC(=O)N1CC(=O)C(c2c[nH]c3ccccc32)C(=O)C1 ZINC000140188246 344397119 /nfs/dbraw/zinc/39/71/19/344397119.db2.gz TYJBXGMGSYSVLI-UHFFFAOYSA-N 0 0 286.287 2.088 10 30 CEEERN C[C@@H]1CCS(=O)(=O)N1c1ccc2c(C#N)nccc2c1 ZINC000143435124 344405857 /nfs/dbraw/zinc/40/58/57/344405857.db2.gz NFLMKPZHAJQYQS-SNVBAGLBSA-N 0 0 287.344 2.035 10 30 CEEERN C#C[C@H](NN)c1ccc(Cl)c(Br)c1 ZINC000229754840 344569277 /nfs/dbraw/zinc/56/92/77/344569277.db2.gz YQLOUHWIGIIQAH-VIFPVBQESA-N 0 0 259.534 2.240 10 30 CEEERN Cc1cc(C#N)nc(N[C@@H]2CCc3cc(N)ccc32)n1 ZINC000231943728 344576098 /nfs/dbraw/zinc/57/60/98/344576098.db2.gz GBBJTRCKJFVEHW-CQSZACIVSA-N 0 0 265.320 2.338 10 30 CEEERN C#C[C@@H](C)Oc1nc(Cl)ncc1Br ZINC000235232587 344590276 /nfs/dbraw/zinc/59/02/76/344590276.db2.gz AXBUYQFGYYHTMO-RXMQYKEDSA-N 0 0 261.506 2.293 10 30 CEEERN C[C@](O)(CC#N)c1ccc(I)cc1 ZINC000235716657 344592063 /nfs/dbraw/zinc/59/20/63/344592063.db2.gz QFFCTLBJDPOWOB-JTQLQIEISA-N 0 0 287.100 2.412 10 30 CEEERN C[C@H](O)c1ccccc1NC(=O)C#CBr ZINC000307244629 344721243 /nfs/dbraw/zinc/72/12/43/344721243.db2.gz LJNNRTCUPAEFJC-QMMMGPOBSA-N 0 0 268.110 2.034 10 30 CEEERN COC(=O)c1ccc(F)c(C#N)c1Br ZINC000307627033 344723723 /nfs/dbraw/zinc/72/37/23/344723723.db2.gz RJOJWIATBHTNMD-UHFFFAOYSA-N 0 0 258.046 2.246 10 30 CEEERN Cc1cc(Cl)ncc1NC(=O)C#CBr ZINC000306248240 344712533 /nfs/dbraw/zinc/71/25/33/344712533.db2.gz PVVODHRJIDDHKB-UHFFFAOYSA-N 0 0 273.517 2.338 10 30 CEEERN CN(C)c1ccccc1NC(=O)C#CBr ZINC000306586874 344715303 /nfs/dbraw/zinc/71/53/03/344715303.db2.gz RQZNJRQCVMUSOV-UHFFFAOYSA-N 0 0 267.126 2.047 10 30 CEEERN O=C(C#CBr)NCCc1ccc(Cl)cc1 ZINC000306809279 344717465 /nfs/dbraw/zinc/71/74/65/344717465.db2.gz RMNSNKUJJJHCCQ-UHFFFAOYSA-N 0 0 286.556 2.355 10 30 CEEERN C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)c1nccs1 ZINC000328632725 344757223 /nfs/dbraw/zinc/75/72/23/344757223.db2.gz SBVSPZSEWFVTEU-DTWKUNHWSA-N 0 0 292.364 2.436 10 30 CEEERN Cc1nscc1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328637918 344757323 /nfs/dbraw/zinc/75/73/23/344757323.db2.gz WCEVHIRRUACUPM-SNVBAGLBSA-N 0 0 276.365 2.215 10 30 CEEERN N#Cc1cncc(N[C@H]2CCCc3cc(N)ccc32)n1 ZINC000401484740 344868546 /nfs/dbraw/zinc/86/85/46/344868546.db2.gz TUPAJLZJDJQLRN-AWEZNQCLSA-N 0 0 265.320 2.420 10 30 CEEERN Cc1cc(N[C@H]2CNc3ccccc3C2)c(C#N)cn1 ZINC000404466428 344880792 /nfs/dbraw/zinc/88/07/92/344880792.db2.gz TUPXNZXQLWLEGT-CQSZACIVSA-N 0 0 264.332 2.132 10 30 CEEERN C[C@H](N=C(NC#N)NCc1cccnc1)C(C)(C)C ZINC000584604896 344963545 /nfs/dbraw/zinc/96/35/45/344963545.db2.gz BTZJXNGNKWNNNE-NSHDSACASA-N 0 0 259.357 2.032 10 30 CEEERN C[C@@H](N=C(NC#N)NCc1cccnc1)C(C)(C)C ZINC000584604895 344963713 /nfs/dbraw/zinc/96/37/13/344963713.db2.gz BTZJXNGNKWNNNE-LLVKDONJSA-N 0 0 259.357 2.032 10 30 CEEERN C=C1C(=O)N(c2ccc(Br)cc2)CC[C@@H]1O ZINC000584613310 344965305 /nfs/dbraw/zinc/96/53/05/344965305.db2.gz FDUVVYTYKAWEFC-NSHDSACASA-N 0 0 282.137 2.103 10 30 CEEERN CCCNC(=O)c1ccc(-c2ccc(C#N)cc2)[nH]c1=O ZINC000584633024 344969783 /nfs/dbraw/zinc/96/97/83/344969783.db2.gz UUXXWOISVKSUNJ-UHFFFAOYSA-N 0 0 281.315 2.466 10 30 CEEERN C=CC[C@@](Cc1cccnc1)(C(C)=O)C(=O)OCC ZINC000584633631 344970271 /nfs/dbraw/zinc/97/02/71/344970271.db2.gz DHJARLUFEVQCQC-OAHLLOKOSA-N 0 0 261.321 2.339 10 30 CEEERN CCOC(=O)C(C(=O)OCC)(c1ccccc1)[C@H](C)C#N ZINC000584652162 344973456 /nfs/dbraw/zinc/97/34/56/344973456.db2.gz LVZZKAKMQQAYKL-GFCCVEGCSA-N 0 0 289.331 2.210 10 30 CEEERN CC(C)[S@](=O)CCC(=O)Nc1ccc(C#N)cc1 ZINC000084266379 178834585 /nfs/dbraw/zinc/83/45/85/178834585.db2.gz VFFSOZFKXGRVBW-SFHVURJKSA-N 0 0 264.350 2.044 10 30 CEEERN CC[C@@H](C)[S@@](=O)CCC(=O)Nc1cccc(C#N)c1 ZINC000084261100 178834251 /nfs/dbraw/zinc/83/42/51/178834251.db2.gz MWYPTHIVSMBVLJ-NSPYISDASA-N 0 0 278.377 2.434 10 30 CEEERN CN[C@](C)(C#N)C[C@@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000084304369 178851118 /nfs/dbraw/zinc/85/11/18/178851118.db2.gz JAJJIISXQLZUQF-MFKMUULPSA-N 0 0 263.297 2.254 10 30 CEEERN CCC/C(=N/N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000058800466 362638732 /nfs/dbraw/zinc/63/87/32/362638732.db2.gz PKFBDADBOQQUIU-PFONDFGASA-N 0 0 277.324 2.431 10 30 CEEERN CCO[C@@H](C#N)c1cc(OC)c(OC)cc1OC ZINC000097328881 185586172 /nfs/dbraw/zinc/58/61/72/185586172.db2.gz PKCRGOGHVKPCKB-ZDUSSCGKSA-N 0 0 251.282 2.314 10 30 CEEERN CC#CC[C@H](NN)c1ccc(OCC)c(OCC)c1 ZINC000097704134 185653676 /nfs/dbraw/zinc/65/36/76/185653676.db2.gz HARHDSXZPKVIDJ-ZDUSSCGKSA-N 0 0 262.353 2.402 10 30 CEEERN COc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1F ZINC000061888508 362695115 /nfs/dbraw/zinc/69/51/15/362695115.db2.gz VLOJKLJVWGCWDA-PWSUYJOCSA-N 0 0 262.284 2.256 10 30 CEEERN C[C@@H](CC#N)N(C)C(=O)c1ccnc(Cl)c1[N+](=O)[O-] ZINC000085685009 179115320 /nfs/dbraw/zinc/11/53/20/179115320.db2.gz BLCIPCZTTACIFX-ZETCQYMHSA-N 0 0 282.687 2.017 10 30 CEEERN C=CCN1C(=O)C2(CCCCC2)NC(=O)[C@@]1(C)C1CC1 ZINC000085758457 179150638 /nfs/dbraw/zinc/15/06/38/179150638.db2.gz OFOGMKPOEJAHSW-OAHLLOKOSA-N 0 0 276.380 2.002 10 30 CEEERN C=CCN1C(=O)C2(CCCCC2)NC(=O)[C@]1(C)C1CC1 ZINC000085758454 179150774 /nfs/dbraw/zinc/15/07/74/179150774.db2.gz OFOGMKPOEJAHSW-HNNXBMFYSA-N 0 0 276.380 2.002 10 30 CEEERN C=CCN1C(=O)[C@@](C)(C2CC2)NC(=O)[C@@H]1c1ccccc1 ZINC000085762009 179153256 /nfs/dbraw/zinc/15/32/56/179153256.db2.gz SHGOXYSDGXAEFS-WMLDXEAASA-N 0 0 284.359 2.041 10 30 CEEERN N#C[C@@]1([C@H](O)c2ccc(Br)cc2)CCOC1 ZINC000085884343 179196067 /nfs/dbraw/zinc/19/60/67/179196067.db2.gz SOIQCIOLPRYUEJ-NEPJUHHUSA-N 0 0 282.137 2.413 10 30 CEEERN N#C[C@]1([C@@H](O)c2ccc(Br)cc2)CCOC1 ZINC000085884346 179196178 /nfs/dbraw/zinc/19/61/78/179196178.db2.gz SOIQCIOLPRYUEJ-NWDGAFQWSA-N 0 0 282.137 2.413 10 30 CEEERN N#Cc1nnc2ccccc2c1N[C@H]1CCCC[C@@H]1O ZINC000085920430 179200446 /nfs/dbraw/zinc/20/04/46/179200446.db2.gz GDTGCRGORURZAZ-JSGCOSHPSA-N 0 0 268.320 2.217 10 30 CEEERN C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000086077976 179225851 /nfs/dbraw/zinc/22/58/51/179225851.db2.gz CHMIAWAUGIEATP-LALPHHSUSA-N 0 0 292.404 2.412 10 30 CEEERN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccccc1C#CCO ZINC000086081115 179227484 /nfs/dbraw/zinc/22/74/84/179227484.db2.gz HKLYVRJVCFTFEO-ZENOOKHLSA-N 0 0 271.360 2.195 10 30 CEEERN N#Cc1ccc(Cl)cc1-n1ccc(=O)[nH]c1=S ZINC000086115273 179233964 /nfs/dbraw/zinc/23/39/64/179233964.db2.gz ZFNNLGPMSXRIKC-UHFFFAOYSA-N 0 0 263.709 2.420 10 30 CEEERN C#CCNCc1nc(-c2cc(Br)cs2)no1 ZINC000086140470 179236878 /nfs/dbraw/zinc/23/68/78/179236878.db2.gz PBWAJDBJKKMESI-UHFFFAOYSA-N 0 0 298.165 2.283 10 30 CEEERN N#CCOc1ccccc1NC(=O)c1ccncc1F ZINC000086316313 179269619 /nfs/dbraw/zinc/26/96/19/179269619.db2.gz SNQPTOWFOLZAKQ-UHFFFAOYSA-N 0 0 271.251 2.375 10 30 CEEERN COC[C@H](C)C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000103380935 185835006 /nfs/dbraw/zinc/83/50/06/185835006.db2.gz FMFMZRLENFUEFM-ZETCQYMHSA-N 0 0 285.394 2.288 10 30 CEEERN CN[C@]1(C#N)CCC[C@@H](n2cc(Br)cn2)C1 ZINC000086604089 179310715 /nfs/dbraw/zinc/31/07/15/179310715.db2.gz JJTOUKYBQJMFJN-GHMZBOCLSA-N 0 0 283.173 2.242 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@@H]1Nc1cccc(F)c1C#N ZINC000086672288 179317932 /nfs/dbraw/zinc/31/79/32/179317932.db2.gz YFNSUVGJMREBSC-STQMWFEESA-N 0 0 282.340 2.075 10 30 CEEERN N#Cc1cc(COc2ccc(C#CCO)c(F)c2)ccn1 ZINC000087438064 179425589 /nfs/dbraw/zinc/42/55/89/179425589.db2.gz CFIUYUGFHOKGLD-UHFFFAOYSA-N 0 0 282.274 2.015 10 30 CEEERN CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CC#N ZINC000087442081 179426465 /nfs/dbraw/zinc/42/64/65/179426465.db2.gz VWNHKHXGMSYODZ-QMMMGPOBSA-N 0 0 252.343 2.036 10 30 CEEERN Cc1ccc(C#CCO)cc1C(=O)Nc1ncccc1C ZINC000087745935 179480095 /nfs/dbraw/zinc/48/00/95/179480095.db2.gz OJTLWUJCIGCGNG-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN CC(C)(C#N)CCN1c2c(cc(F)cc2F)C(=O)C1=O ZINC000087592387 179451600 /nfs/dbraw/zinc/45/16/00/179451600.db2.gz GIWPZOGHOSPMBX-UHFFFAOYSA-N 0 0 278.258 2.434 10 30 CEEERN CS(=O)(=O)N1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616625412 348538870 /nfs/dbraw/zinc/53/88/70/348538870.db2.gz LYUFJNFTBJJGEU-CYBMUJFWSA-N 0 0 264.350 2.045 10 30 CEEERN COC(=O)N1CCCO[C@H](c2cccc(C#N)c2)C1 ZINC000616650441 348548038 /nfs/dbraw/zinc/54/80/38/348548038.db2.gz ALLKNHXXKXTFRF-ZDUSSCGKSA-N 0 0 260.293 2.088 10 30 CEEERN COc1ccc(CN2CCCC[C@@H]2C#N)cc1C#N ZINC000087829095 179496190 /nfs/dbraw/zinc/49/61/90/179496190.db2.gz PIOLHLHSHSDFNB-CQSZACIVSA-N 0 0 255.321 2.445 10 30 CEEERN O=C(Nc1ccc(C#CCO)c(F)c1)c1ccco1 ZINC000088082303 179546115 /nfs/dbraw/zinc/54/61/15/179546115.db2.gz ICFXBYSGGBUGCH-UHFFFAOYSA-N 0 0 259.236 2.015 10 30 CEEERN Cc1noc(NC(=O)c2cccc(C#CCO)c2C)c1C ZINC000088443585 179603540 /nfs/dbraw/zinc/60/35/40/179603540.db2.gz PAMUDRXJWINRBU-UHFFFAOYSA-N 0 0 284.315 2.196 10 30 CEEERN CCCn1ncnc1CN(C)c1cccc(C#N)c1 ZINC000088593106 179632840 /nfs/dbraw/zinc/63/28/40/179632840.db2.gz QYPXGOHQJCNYCW-UHFFFAOYSA-N 0 0 255.325 2.196 10 30 CEEERN C[C@H](OC[C@](N)(C#N)c1ccccc1)C(F)(F)F ZINC000090673982 180021532 /nfs/dbraw/zinc/02/15/32/180021532.db2.gz SJTMQBSSRSMKBD-GXSJLCMTSA-N 0 0 258.243 2.332 10 30 CEEERN C=CCNC(=O)N1CCN(C2CC2)C[C@H]1Cc1ccccc1 ZINC000090690267 180024272 /nfs/dbraw/zinc/02/42/72/180024272.db2.gz MASIYJWPNWRNDY-QGZVFWFLSA-N 0 0 299.418 2.273 10 30 CEEERN CCCCC(=O)NCC#CCOc1ccc2c(c1)OCO2 ZINC000090730705 180033679 /nfs/dbraw/zinc/03/36/79/180033679.db2.gz IDIIHVFJGHFVCL-UHFFFAOYSA-N 0 0 289.331 2.104 10 30 CEEERN CC(=O)NCC#CCOc1cccc2ccccc21 ZINC000090732806 180033751 /nfs/dbraw/zinc/03/37/51/180033751.db2.gz XPDHYUWFYNPSGS-UHFFFAOYSA-N 0 0 253.301 2.358 10 30 CEEERN Cc1ccc(OCC#CCNC(=O)c2ccsc2)cn1 ZINC000090742639 180035918 /nfs/dbraw/zinc/03/59/18/180035918.db2.gz KWDUXOSNMCXEAK-UHFFFAOYSA-N 0 0 286.356 2.264 10 30 CEEERN C[C@@H](N)c1nc(C(=O)Nc2ccc(CC#N)cc2)cs1 ZINC000090948537 180071332 /nfs/dbraw/zinc/07/13/32/180071332.db2.gz ZVUAZKCRGRDANL-SECBINFHSA-N 0 0 286.360 2.481 10 30 CEEERN O=C(NCc1cc(C#CCO)cs1)[C@H]1Cc2ccccc21 ZINC000090985710 180080789 /nfs/dbraw/zinc/08/07/89/180080789.db2.gz BBUTTXSZUWLOLB-INIZCTEOSA-N 0 0 297.379 2.048 10 30 CEEERN CCNC(=O)C[C@H](C#N)Nc1cccc(Cl)c1 ZINC000091316744 180133784 /nfs/dbraw/zinc/13/37/84/180133784.db2.gz QZYXQNHXTVIFBD-LLVKDONJSA-N 0 0 251.717 2.170 10 30 CEEERN COc1ccc(N[C@H](C#N)CC(=O)N2CCCC2)cc1 ZINC000091324962 180134818 /nfs/dbraw/zinc/13/48/18/180134818.db2.gz HEVSTDUDYYJWCT-ZDUSSCGKSA-N 0 0 273.336 2.012 10 30 CEEERN COc1ccccc1N[C@H](C#N)CC(=O)N1CCCCC1 ZINC000091325782 180135415 /nfs/dbraw/zinc/13/54/15/180135415.db2.gz CXCNCWXWLKCTMP-ZDUSSCGKSA-N 0 0 287.363 2.402 10 30 CEEERN CC(C)N[C@@](C)(C#N)CCCSC[C@H](C)CO ZINC000091258244 180115237 /nfs/dbraw/zinc/11/52/37/180115237.db2.gz JWFUCAZKORNAPR-CHWSQXEVSA-N 0 0 258.431 2.408 10 30 CEEERN CCN[C@@](C#N)(CSC[C@@H](C)CO)c1ccccc1 ZINC000091258191 180115304 /nfs/dbraw/zinc/11/53/04/180115304.db2.gz QYQZOVQOJPXOLI-ZFWWWQNUSA-N 0 0 278.421 2.377 10 30 CEEERN CCN[C@](C)(C#N)CCCCSC[C@@H](C)CO ZINC000091258261 180115357 /nfs/dbraw/zinc/11/53/57/180115357.db2.gz FYDUXFDHMHXKSD-STQMWFEESA-N 0 0 258.431 2.410 10 30 CEEERN C[C@@H](CO)CSCCC[C@@](C)(C#N)NC1CC1 ZINC000091258309 180115563 /nfs/dbraw/zinc/11/55/63/180115563.db2.gz WUGIUBOBNMXHOI-AAEUAGOBSA-N 0 0 256.415 2.162 10 30 CEEERN C[C@H](CCO)SCc1ccc(F)c(C#CCO)c1 ZINC000091266407 180117049 /nfs/dbraw/zinc/11/70/49/180117049.db2.gz BWVIEHFTGMLLDZ-LLVKDONJSA-N 0 0 268.353 2.174 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)nc1 ZINC000091448536 180157440 /nfs/dbraw/zinc/15/74/40/180157440.db2.gz RTSRBQXXQUKDSE-WPRPVWTQSA-N 0 0 294.152 2.266 10 30 CEEERN CC1CCC(N(C)C(=O)c2ccncc2C#CCO)CC1 ZINC000091458411 180160649 /nfs/dbraw/zinc/16/06/49/180160649.db2.gz ZFMVFXFCQRWYEM-UHFFFAOYSA-N 0 0 286.375 2.076 10 30 CEEERN CCCC1CCN(C(=O)c2ccncc2C#CCO)CC1 ZINC000091459147 180160890 /nfs/dbraw/zinc/16/08/90/180160890.db2.gz PYVIWGXCLAPDHK-UHFFFAOYSA-N 0 0 286.375 2.078 10 30 CEEERN CCCC[C@H](C)NC(=O)c1ccncc1C#CCCO ZINC000091459146 180161017 /nfs/dbraw/zinc/16/10/17/180161017.db2.gz QPPYYIPMECYYRK-ZDUSSCGKSA-N 0 0 274.364 2.124 10 30 CEEERN CC(C)C[C@H](C)N(C)C(=O)c1ccncc1C#CCCO ZINC000091458785 180161103 /nfs/dbraw/zinc/16/11/03/180161103.db2.gz RKKBCCDRXGOLCY-AWEZNQCLSA-N 0 0 288.391 2.322 10 30 CEEERN O=C(NC1CCCCCCC1)c1ccncc1C#CCO ZINC000091457490 180161149 /nfs/dbraw/zinc/16/11/49/180161149.db2.gz XHPSEELMWLQTIU-UHFFFAOYSA-N 0 0 286.375 2.268 10 30 CEEERN CC(C)c1nn(C)c(N(C)[C@@H](C)CC#N)c1[N+](=O)[O-] ZINC000091581260 180198948 /nfs/dbraw/zinc/19/89/48/180198948.db2.gz SQMPZXCCROVHQX-VIFPVBQESA-N 0 0 265.317 2.190 10 30 CEEERN CC(C)[C@](C)(C#N)NC(=O)CSc1cccc(N)c1 ZINC000091928486 180288539 /nfs/dbraw/zinc/28/85/39/180288539.db2.gz MDTBGYGANIZCHQ-AWEZNQCLSA-N 0 0 277.393 2.415 10 30 CEEERN C=CCNC(=O)[C@H](C)Sc1ccc(N)c(C)c1 ZINC000091939221 180289426 /nfs/dbraw/zinc/28/94/26/180289426.db2.gz CVOXOAQMOHVLEX-JTQLQIEISA-N 0 0 250.367 2.360 10 30 CEEERN C[C@H](NC(=O)N1CCCC1)c1cccc(C#CCCO)c1 ZINC000091968656 180294533 /nfs/dbraw/zinc/29/45/33/180294533.db2.gz YWMDRHWCKPZPTD-AWEZNQCLSA-N 0 0 286.375 2.287 10 30 CEEERN N#C[C@]1(C2(O)CCC(C(F)(F)F)CC2)CCOC1 ZINC000091887629 180279922 /nfs/dbraw/zinc/27/99/22/180279922.db2.gz ZBFDFOGJRJDLQT-HSOILSAZSA-N 0 0 263.259 2.400 10 30 CEEERN CCn1cncc1[C@@H](O)[C@]1(C#N)CCOc2ccccc21 ZINC000091904356 180283076 /nfs/dbraw/zinc/28/30/76/180283076.db2.gz ZRIDNZQKIBALNK-CVEARBPZSA-N 0 0 283.331 2.180 10 30 CEEERN CCn1cncc1[C@@H](O)[C@]1(C#N)COc2ccccc2C1 ZINC000091904404 180283276 /nfs/dbraw/zinc/28/32/76/180283276.db2.gz YJYDCCYPFMAHMG-HZPDHXFCSA-N 0 0 283.331 2.081 10 30 CEEERN O=C(NCc1ccc(C#CCO)s1)N1CCCCCC1 ZINC000091971819 180295721 /nfs/dbraw/zinc/29/57/21/180295721.db2.gz VLNDXURUQMGSKK-UHFFFAOYSA-N 0 0 292.404 2.178 10 30 CEEERN Cc1c(C#CCCO)cccc1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092112119 180326854 /nfs/dbraw/zinc/32/68/54/180326854.db2.gz WWSKFXOIWBAODH-OKILXGFUSA-N 0 0 285.387 2.457 10 30 CEEERN CC[C@@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(C)C ZINC000092131587 180329839 /nfs/dbraw/zinc/32/98/39/180329839.db2.gz UZYJEEWNZGBWSL-CQSZACIVSA-N 0 0 280.393 2.466 10 30 CEEERN C[C@@H]1C[C@@H]1CN(C)S(=O)(=O)c1ccc(CC#N)cc1 ZINC000092132257 180329978 /nfs/dbraw/zinc/32/99/78/180329978.db2.gz LDVIUCDRYSTBNB-DGCLKSJQSA-N 0 0 278.377 2.029 10 30 CEEERN CC1(NS(=O)(=O)c2ccc(CC#N)cc2)CCCC1 ZINC000092132382 180330121 /nfs/dbraw/zinc/33/01/21/180330121.db2.gz MQJSSBKNFWOQPX-UHFFFAOYSA-N 0 0 278.377 2.364 10 30 CEEERN CSC[C@H](C)CNS(=O)(=O)c1ccc(CC#N)cc1 ZINC000092132297 180330202 /nfs/dbraw/zinc/33/02/02/180330202.db2.gz SLFMLYOMMLPHSN-LLVKDONJSA-N 0 0 298.433 2.030 10 30 CEEERN N#Cc1ccc(NC(=O)CCCO)c(C(F)(F)F)c1 ZINC000092157499 180336031 /nfs/dbraw/zinc/33/60/31/180336031.db2.gz RZUINZODJAXWLR-UHFFFAOYSA-N 0 0 272.226 2.288 10 30 CEEERN Cc1noc(C)c1[C@H](C)Nc1ncc(N)cc1C#N ZINC000092325197 180363258 /nfs/dbraw/zinc/36/32/58/180363258.db2.gz HJJKOONYNBYMGI-ZETCQYMHSA-N 0 0 257.297 2.313 10 30 CEEERN C#CCn1c(C)nc(-c2ccccc2OCC)c1N ZINC000106832647 186137633 /nfs/dbraw/zinc/13/76/33/186137633.db2.gz LCTJAYSVHDOWNT-UHFFFAOYSA-N 0 0 255.321 2.473 10 30 CEEERN C=CC[N@H+](CC(=O)[O-])[C@@H](C)c1ccc(OC)cc1OC ZINC000092468335 180391957 /nfs/dbraw/zinc/39/19/57/180391957.db2.gz DVHNQFUBBPYMIC-NSHDSACASA-N 0 0 279.336 2.337 10 30 CEEERN CC[C@@H](CC#N)N1C(=O)C[C@H](c2ccccc2)C1=O ZINC000107790944 186191130 /nfs/dbraw/zinc/19/11/30/186191130.db2.gz NCQJNXSUYRWKJQ-QWHCGFSZSA-N 0 0 256.305 2.221 10 30 CEEERN CN(c1ccc2c(c1)NC(=O)[C@H]2O)c1cccc(C#N)c1 ZINC000108691843 186227524 /nfs/dbraw/zinc/22/75/24/186227524.db2.gz NAUJMZGFGLPPFR-HNNXBMFYSA-N 0 0 279.299 2.312 10 30 CEEERN CCNC(=O)c1ccc(N)c(N(CC)C[C@H](C)C#N)c1 ZINC000109537305 186261074 /nfs/dbraw/zinc/26/10/74/186261074.db2.gz PRUAQUBWBAEHJY-LLVKDONJSA-N 0 0 274.368 2.004 10 30 CEEERN Cc1ccc(C(=O)Nc2ccc(C)c(C#CCO)c2)n1C ZINC000109433920 186252456 /nfs/dbraw/zinc/25/24/56/186252456.db2.gz QJERTGCIDZTCRQ-UHFFFAOYSA-N 0 0 282.343 2.238 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000109446557 186252755 /nfs/dbraw/zinc/25/27/55/186252755.db2.gz QKZCKDCXKMFFRZ-NSHDSACASA-N 0 0 293.317 2.025 10 30 CEEERN CCC[C@H](C#N)N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000109446808 186252813 /nfs/dbraw/zinc/25/28/13/186252813.db2.gz AFXGWUBTNQTKNW-CQSZACIVSA-N 0 0 289.379 2.347 10 30 CEEERN CCC[C@H](C#N)N1CCN(C(=O)c2cccs2)CC1 ZINC000109446962 186253084 /nfs/dbraw/zinc/25/30/84/186253084.db2.gz PYXSTBNSLKUMEX-GFCCVEGCSA-N 0 0 277.393 2.198 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000109446544 186253307 /nfs/dbraw/zinc/25/33/07/186253307.db2.gz WPTXNUUYJZCGKC-JTQLQIEISA-N 0 0 297.811 2.461 10 30 CEEERN CCCCOCCN1CCN([C@@H](C#N)CCC)CC1 ZINC000109457772 186253758 /nfs/dbraw/zinc/25/37/58/186253758.db2.gz ONNYTLOEMJATSD-OAHLLOKOSA-N 0 0 267.417 2.113 10 30 CEEERN CC[C@@H](C#N)N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000109455844 186253938 /nfs/dbraw/zinc/25/39/38/186253938.db2.gz RHZHZKQZOIYAFX-INIZCTEOSA-N 0 0 287.407 2.423 10 30 CEEERN CCCN[C@](C#N)(CO[C@H]1CCOC1)c1ccccc1 ZINC000110531215 186301874 /nfs/dbraw/zinc/30/18/74/186301874.db2.gz HUTBGIPEZJTOIU-JKSUJKDBSA-N 0 0 274.364 2.211 10 30 CEEERN Cc1ccc(CNC(=O)Cc2ccc(C#N)cc2)o1 ZINC000110616907 186305783 /nfs/dbraw/zinc/30/57/83/186305783.db2.gz GMOXYUNNHSUOQE-UHFFFAOYSA-N 0 0 254.289 2.319 10 30 CEEERN N#CCc1nc2ccccc2n1-c1ccncc1[N+](=O)[O-] ZINC000110949569 186335840 /nfs/dbraw/zinc/33/58/40/186335840.db2.gz FDGOROOCJSYKHD-UHFFFAOYSA-N 0 0 279.259 2.395 10 30 CEEERN CS(=O)(=O)CCSc1c(C#N)cnc2ccccc21 ZINC000111004743 186341645 /nfs/dbraw/zinc/34/16/45/186341645.db2.gz QPIRXZOBBWDIBJ-UHFFFAOYSA-N 0 0 292.385 2.243 10 30 CEEERN CCCOCCOCCCC[C@@](C)(C#N)NCC ZINC000111110218 186353392 /nfs/dbraw/zinc/35/33/92/186353392.db2.gz BGNAXHNDRKIOKQ-AWEZNQCLSA-N 0 0 256.390 2.492 10 30 CEEERN Cc1nn(C)c(NCCc2ccc(F)cc2)c1C#N ZINC000111349858 186403238 /nfs/dbraw/zinc/40/32/38/186403238.db2.gz WTJPXOCOHYNJCP-UHFFFAOYSA-N 0 0 258.300 2.394 10 30 CEEERN Cc1ccc(CN(C)C(=O)c2sccc2C#CCO)o1 ZINC000111531774 186427351 /nfs/dbraw/zinc/42/73/51/186427351.db2.gz JITCZJZQIQZTJN-UHFFFAOYSA-N 0 0 289.356 2.266 10 30 CEEERN C[C@@H](C#N)N1CCN(C(=O)C[C@H](C)C(C)(C)C)CC1 ZINC000111649867 186437841 /nfs/dbraw/zinc/43/78/41/186437841.db2.gz CKHKPNRIYUOUKM-STQMWFEESA-N 0 0 265.401 2.115 10 30 CEEERN CCN(CC)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000154661003 188156301 /nfs/dbraw/zinc/15/63/01/188156301.db2.gz WHDYEIDWOZDDIQ-UHFFFAOYSA-N 0 0 279.727 2.019 10 30 CEEERN C=C(C)CNC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000161163093 188512121 /nfs/dbraw/zinc/51/21/21/188512121.db2.gz MBUYISHENHIBMX-NEPJUHHUSA-N 0 0 282.384 2.372 10 30 CEEERN CN(C)/C=C/C(=O)c1ccc(Br)cn1 ZINC000224145739 540161351 /nfs/dbraw/zinc/16/13/51/540161351.db2.gz YIGFCISMMOXZQL-AATRIKPKSA-N 0 0 255.115 2.102 10 30 CEEERN COC(=O)c1c(OC(F)(F)F)ccc(C#N)c1C=O ZINC000575390895 366267068 /nfs/dbraw/zinc/26/70/68/366267068.db2.gz IPBBNEOIGWUPIU-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN COC(=O)c1c(C#N)ccc(C=O)c1C(F)(F)F ZINC000575390888 366267447 /nfs/dbraw/zinc/26/74/47/366267447.db2.gz AKKPKMMEPMFGSD-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN CCOC(=O)Cc1ccc(C(F)(F)F)c(C=O)c1C#N ZINC000575391043 366268712 /nfs/dbraw/zinc/26/87/12/366268712.db2.gz GEUOBHAHBRXEPS-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN COC(=O)Cc1c(OC)ccc(C#N)c1OC(F)(F)F ZINC000575393972 366272380 /nfs/dbraw/zinc/27/23/80/366272380.db2.gz BETAENZFELCALG-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)cc(C#N)c1OC ZINC000575394043 366272800 /nfs/dbraw/zinc/27/28/00/366272800.db2.gz GGTPAXBGJQCZJT-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(C)c1OC(F)(F)F ZINC000575394401 366273563 /nfs/dbraw/zinc/27/35/63/366273563.db2.gz GVALFQIUIDNQBM-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN COC(=O)c1ccc(OC(F)(F)F)c(C#N)c1OC ZINC000575395061 366274868 /nfs/dbraw/zinc/27/48/68/366274868.db2.gz VOAREWDXKKKIDP-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)Cc1c(OC(F)(F)F)ccc(C)c1C#N ZINC000575395247 366275341 /nfs/dbraw/zinc/27/53/41/366275341.db2.gz UIQLOHSXDFFYHP-UHFFFAOYSA-N 0 0 273.210 2.481 10 30 CEEERN COC(=O)c1cc([N+](=O)[O-])c(C#N)cc1OC(F)(F)F ZINC000575395748 366275980 /nfs/dbraw/zinc/27/59/80/366275980.db2.gz OSZPPTAAQUZMHU-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575395983 366276749 /nfs/dbraw/zinc/27/67/49/366276749.db2.gz ZNLJEQSAIJNUIS-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN N#Cc1cccc(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000070199039 283205156 /nfs/dbraw/zinc/20/51/56/283205156.db2.gz HWALVNHSDMNULV-AWEZNQCLSA-N 0 0 264.284 2.422 10 30 CEEERN N#Cc1ccc(N)c(Cl)c1I ZINC000575720227 366345134 /nfs/dbraw/zinc/34/51/34/366345134.db2.gz JAJZJCUFLGLNJG-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN COc1cc(C=NC(=O)CC#N)cc(Br)c1O ZINC000000260673 538833622 /nfs/dbraw/zinc/83/36/22/538833622.db2.gz RJWOLLPIPDGOCZ-MKMNVTDBSA-N 0 0 297.108 2.022 10 30 CEEERN CC[C@@H](C#N)N1CCN(c2ncc(Cl)cc2F)CC1 ZINC000094051932 535389844 /nfs/dbraw/zinc/38/98/44/535389844.db2.gz QBIYQFOEBFJMGG-NSHDSACASA-N 0 0 282.750 2.298 10 30 CEEERN C#CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC000685960594 540659712 /nfs/dbraw/zinc/65/97/12/540659712.db2.gz UHOHTQAYXPDDQP-MNOVXSKESA-N 0 0 251.326 2.224 10 30 CEEERN C#CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000685960280 540659249 /nfs/dbraw/zinc/65/92/49/540659249.db2.gz BVFAZVIXWLHTQC-WDEREUQCSA-N 0 0 251.326 2.082 10 30 CEEERN C[C@H](C(=O)OC(C)(C)C)N(C)c1ccc(C#N)cn1 ZINC000176821863 189010292 /nfs/dbraw/zinc/01/02/92/189010292.db2.gz KPGXKVWFFCPLPX-SNVBAGLBSA-N 0 0 261.325 2.120 10 30 CEEERN N#Cc1ccc(N2C[C@@H](F)C[C@H]2CO)cc1C(F)(F)F ZINC000335889020 212663439 /nfs/dbraw/zinc/66/34/39/212663439.db2.gz OOXMANFWUHOQME-ONGXEEELSA-N 0 0 288.244 2.486 10 30 CEEERN COc1ccc(CN[C@H]2CCCn3nc(C)nc32)cc1C#N ZINC000177593042 189059015 /nfs/dbraw/zinc/05/90/15/189059015.db2.gz WSQCLRQGKHNCBB-AWEZNQCLSA-N 0 0 297.362 2.092 10 30 CEEERN CCOC(=O)[C@]1(CCCc2ccc(F)cc2)CO1 ZINC000001853730 361222975 /nfs/dbraw/zinc/22/29/75/361222975.db2.gz ZXVXHJADXUWSIH-AWEZNQCLSA-N 0 0 252.285 2.481 10 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CCOC(=O)c1cc(Br)cc(C#N)c1[N+](=O)[O-] ZINC000575383603 395662594 /nfs/dbraw/zinc/66/25/94/395662594.db2.gz SOMCPISELUYHPQ-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCOC(=O)Cc1ccc(C#N)c(OC)c1Br ZINC000575383001 395662611 /nfs/dbraw/zinc/66/26/11/395662611.db2.gz INCDZVPDYRYKRC-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCc1c(C#N)ccc(OC(F)F)c1CC(=O)OC ZINC000575385515 395662711 /nfs/dbraw/zinc/66/27/11/395662711.db2.gz WUUWAJCUPRQWCE-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCOC(=O)Cc1ccc(OC(F)F)c(C#N)c1F ZINC000575385796 395662919 /nfs/dbraw/zinc/66/29/19/395662919.db2.gz LVRJLMNCKMPENR-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)Cc1cc(C=O)cc(OC(F)F)c1C#N ZINC000575385990 395662971 /nfs/dbraw/zinc/66/29/71/395662971.db2.gz SADVBOIVGXFRIX-UHFFFAOYSA-N 0 0 283.230 2.078 10 30 CEEERN CCOC(=O)c1c(C#N)cc(C=O)cc1OC(F)F ZINC000575385787 395662982 /nfs/dbraw/zinc/66/29/82/395662982.db2.gz LCVWJQKPIAMPOZ-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)Cc1cc(C=O)c(C#N)c(C(F)F)c1 ZINC000575388039 395663356 /nfs/dbraw/zinc/66/33/56/395663356.db2.gz SLOITRBNCNJXQU-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN COC(=O)c1c(C#N)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575389264 395663989 /nfs/dbraw/zinc/66/39/89/395663989.db2.gz INOXPSQUYSUMRG-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN COC(=O)Cc1cc(C#N)c(F)c(OC(F)(F)F)c1 ZINC000575390375 395664034 /nfs/dbraw/zinc/66/40/34/395664034.db2.gz GCDZDXVWVGONEG-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN COC(=O)Cc1cc(F)cc(OC(F)(F)F)c1C#N ZINC000575390393 395664208 /nfs/dbraw/zinc/66/42/08/395664208.db2.gz IFEWEQZELFZOHC-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN COC(=O)c1ccc(Br)c(C)c1C#N ZINC000306411392 400333347 /nfs/dbraw/zinc/33/33/47/400333347.db2.gz VDKSMBITWYEVPK-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN N#Cc1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 ZINC000228339875 153364711 /nfs/dbraw/zinc/36/47/11/153364711.db2.gz GTPPIVMBULHVJA-WFASDCNBSA-N 0 0 257.337 2.085 10 30 CEEERN CC[N@H+](CC(=O)[O-])C1CC(Nc2ccc(C#N)cc2F)C1 ZINC000263563314 154126528 /nfs/dbraw/zinc/12/65/28/154126528.db2.gz UBQKOVUDWZLKIV-UHFFFAOYSA-N 0 0 291.326 2.047 10 30 CEEERN CN(CCC#N)C(=O)c1noc2c1COc1ccccc1-2 ZINC000006817344 170246211 /nfs/dbraw/zinc/24/62/11/170246211.db2.gz XUXOCICNMYSDQC-UHFFFAOYSA-N 0 0 283.287 2.220 10 30 CEEERN CC(=NNc1cn[nH]c(=O)c1Cl)c1cccs1 ZINC000007030845 170262977 /nfs/dbraw/zinc/26/29/77/170262977.db2.gz UAUMKBOYHJSIEH-AWNIVKPZSA-N 0 0 268.729 2.321 10 30 CEEERN C=CCC(=O)Nc1cccnc1C(=O)Nc1nccs1 ZINC000013520103 170557585 /nfs/dbraw/zinc/55/75/85/170557585.db2.gz WAPRPWZOYLYCTM-UHFFFAOYSA-N 0 0 288.332 2.305 10 30 CEEERN CNC(=S)[C@]1(c2cccnc2)CCCC[S@@]1=O ZINC000013650964 170573739 /nfs/dbraw/zinc/57/37/39/170573739.db2.gz GKEMHVLBZNVZOI-SJKOYZFVSA-N 0 0 268.407 2.168 10 30 investigational CEEERN C=CCNC(=S)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000013932374 170608283 /nfs/dbraw/zinc/60/82/83/170608283.db2.gz JMJZQSOEBMXCDV-SNVBAGLBSA-N 0 0 280.393 2.415 10 30 CEEERN N#Cc1ccc(OC(=O)Cn2c(=O)oc3ccccc32)cc1 ZINC000014469146 170635558 /nfs/dbraw/zinc/63/55/58/170635558.db2.gz XEPMXAJMQMYTIL-UHFFFAOYSA-N 0 0 294.266 2.072 10 30 CEEERN CC(=O)/N=C1/NC(=O)/C(=C\C=C\c2ccccc2)S1 ZINC000015723148 170675432 /nfs/dbraw/zinc/67/54/32/170675432.db2.gz JXCAUUVJLZNENL-LRELXJSQSA-N 0 0 272.329 2.349 10 30 CEEERN CCOc1ccc(C(=O)N2CCC(=NO)CC2)cc1 ZINC000019809012 170877907 /nfs/dbraw/zinc/87/79/07/170877907.db2.gz HVTQXTXTAIOGIR-UHFFFAOYSA-N 0 0 262.309 2.152 10 30 CEEERN CN1CCN([C@H](C#N)c2c(F)cccc2Cl)CC1 ZINC000019934604 170932311 /nfs/dbraw/zinc/93/23/11/170932311.db2.gz PJHJFMPSWVWUAU-GFCCVEGCSA-N 0 0 267.735 2.291 10 30 CEEERN CCOC(=O)CN[C@@H](C#N)c1c(F)cccc1Cl ZINC000020175302 171041812 /nfs/dbraw/zinc/04/18/12/171041812.db2.gz CHNSTCCJIASFHR-JTQLQIEISA-N 0 0 270.691 2.196 10 30 CEEERN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(CC#N)cc1 ZINC000020363354 171162245 /nfs/dbraw/zinc/16/22/45/171162245.db2.gz STGXBSSBIZAYAE-NWDGAFQWSA-N 0 0 260.337 2.435 10 30 CEEERN N#Cc1ccc(OCC(=O)Nc2ccccc2N)cc1 ZINC000022167521 171366423 /nfs/dbraw/zinc/36/64/23/171366423.db2.gz WYVYNXWQVIFALC-UHFFFAOYSA-N 0 0 267.288 2.158 10 30 CEEERN C=CCNC(=O)c1cc(-c2ccccc2OC)nn1C ZINC000034903421 171892397 /nfs/dbraw/zinc/89/23/97/171892397.db2.gz CRVSQICGGLATQS-UHFFFAOYSA-N 0 0 271.320 2.012 10 30 CEEERN COc1cc(NC2=NCCCS2)cc(OC)c1OC ZINC000034971952 171908546 /nfs/dbraw/zinc/90/85/46/171908546.db2.gz XYKKWGQWOKCIKN-UHFFFAOYSA-N 0 0 282.365 2.426 10 30 CEEERN N#CC1(S(=O)(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000035676670 172347580 /nfs/dbraw/zinc/34/75/80/172347580.db2.gz OUAFDUSOVGDHAA-UHFFFAOYSA-N 0 0 285.752 2.186 10 30 CEEERN CN(C)c1ncccc1C(=O)Nc1ccccc1C#N ZINC000036175868 172495703 /nfs/dbraw/zinc/49/57/03/172495703.db2.gz NTOGGKLEDUPCHL-UHFFFAOYSA-N 0 0 266.304 2.272 10 30 CEEERN CCCCCN(C)C(=O)c1ccc(/C(N)=N/O)cc1 ZINC000037172112 173005907 /nfs/dbraw/zinc/00/59/07/173005907.db2.gz JAZIRQCKJIQOLL-UHFFFAOYSA-N 0 0 263.341 2.043 10 30 CEEERN C[C@@](C#N)(NC(=O)CSc1ccc(N)cc1)C1CC1 ZINC000037182202 173014603 /nfs/dbraw/zinc/01/46/03/173014603.db2.gz UGROTWQIJCKCFB-AWEZNQCLSA-N 0 0 275.377 2.169 10 30 CEEERN N/C(=N\O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000037338268 173139039 /nfs/dbraw/zinc/13/90/39/173139039.db2.gz WQQXBQZQYZVKDE-UHFFFAOYSA-N 0 0 255.277 2.033 10 30 CEEERN COc1ccc(C)cc1[C@H](C#N)C(=O)[C@@H]1CCCO1 ZINC000037345854 173142821 /nfs/dbraw/zinc/14/28/21/173142821.db2.gz GGWQVGNFQCVFQB-JSGCOSHPSA-N 0 0 259.305 2.359 10 30 CEEERN CCCN[C@H](C#N)c1c(OC)cc(OC)cc1OC ZINC000037376769 173165210 /nfs/dbraw/zinc/16/52/10/173165210.db2.gz XFZLMGHALLJLFQ-LLVKDONJSA-N 0 0 264.325 2.277 10 30 CEEERN N#Cc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1 ZINC000037388986 173172626 /nfs/dbraw/zinc/17/26/26/173172626.db2.gz BMRNFEPNSUERDI-UHFFFAOYSA-N 0 0 276.295 2.283 10 30 CEEERN N#Cc1ccc(-n2cc(Br)cn2)c([N+](=O)[O-])c1 ZINC000038074937 174084863 /nfs/dbraw/zinc/08/48/63/174084863.db2.gz ZGCQUYCXFQKBIC-UHFFFAOYSA-N 0 0 293.080 2.415 10 30 CEEERN N#C[C@@]1(N2CCCCCC2)COc2cc(O)ccc21 ZINC000038086143 174096721 /nfs/dbraw/zinc/09/67/21/174096721.db2.gz GYSBHRAZZCKWEE-OAHLLOKOSA-N 0 0 258.321 2.379 10 30 CEEERN Cc1cc2nc(CCCO)n(CCC#N)c2cc1C ZINC000040310987 174230342 /nfs/dbraw/zinc/23/03/42/174230342.db2.gz BUASYXSNXQNNNR-UHFFFAOYSA-N 0 0 257.337 2.492 10 30 CEEERN Cc1cc(C)c(C#N)c(-n2ncc3ccc(N)cc32)n1 ZINC000040516719 174307275 /nfs/dbraw/zinc/30/72/75/174307275.db2.gz PWZCCCHHFPVWBT-UHFFFAOYSA-N 0 0 263.304 2.491 10 30 CEEERN C=CCNc1ncnc(Nc2cccc(OC)c2)c1N ZINC000040687959 174375913 /nfs/dbraw/zinc/37/59/13/174375913.db2.gz DPJGVXBDCBTDCT-UHFFFAOYSA-N 0 0 271.324 2.409 10 30 CEEERN CN(C)c1ccc(I)cc1C#N ZINC000205161174 414841391 /nfs/dbraw/zinc/84/13/91/414841391.db2.gz JXZLCCWXPHRMBN-UHFFFAOYSA-N 0 0 272.089 2.229 10 30 CEEERN N#Cc1ccc(F)c(CS(=O)(=O)c2ccc(N)cc2)c1 ZINC000042193167 174655170 /nfs/dbraw/zinc/65/51/70/174655170.db2.gz CHBHFLDYKKWXNB-UHFFFAOYSA-N 0 0 290.319 2.253 10 30 CEEERN CCN(C[C@@H](C)/C(N)=N/O)C(=O)CC1CCCCC1 ZINC000042445800 174740180 /nfs/dbraw/zinc/74/01/80/174740180.db2.gz VLTWLWCOUXYYII-LLVKDONJSA-N 0 0 269.389 2.188 10 30 CEEERN CCN(CC(=O)Nc1ccc(Cl)c(N)c1)C[C@@H](C)C#N ZINC000042446952 174741177 /nfs/dbraw/zinc/74/11/77/174741177.db2.gz FAFFVENGFRZKBE-JTQLQIEISA-N 0 0 294.786 2.342 10 30 CEEERN CCN(CC(F)(F)F)C(=O)c1ccccc1C#CCO ZINC000042797445 174882024 /nfs/dbraw/zinc/88/20/24/174882024.db2.gz OCVWIFUCDPINCC-UHFFFAOYSA-N 0 0 285.265 2.055 10 30 CEEERN Cc1c(F)cccc1NC(=O)c1cncc(C#CCO)c1 ZINC000043322867 175006552 /nfs/dbraw/zinc/00/65/52/175006552.db2.gz RGTKOHKQDBQDII-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN OCC#Cc1ccsc1CSc1ncccn1 ZINC000043683293 175091440 /nfs/dbraw/zinc/09/14/40/175091440.db2.gz ZLYKBJYOXDRVFF-UHFFFAOYSA-N 0 0 262.359 2.174 10 30 CEEERN CCN(CCC#N)Cc1cc(C#CCCO)cs1 ZINC000043698691 175096824 /nfs/dbraw/zinc/09/68/24/175096824.db2.gz UJYXHWMAOZMAEO-UHFFFAOYSA-N 0 0 262.378 2.218 10 30 CEEERN COc1ccc(C)cc1NC(=O)C1(C#N)CCOCC1 ZINC000044764831 175248766 /nfs/dbraw/zinc/24/87/66/175248766.db2.gz UZVOIBGPEUPSDZ-UHFFFAOYSA-N 0 0 274.320 2.263 10 30 CEEERN C[C@H]1CCC[C@H](C)N1C(=O)C1(C#N)CCOCC1 ZINC000044765150 175248937 /nfs/dbraw/zinc/24/89/37/175248937.db2.gz BMLBMLVMAKWCDX-RYUDHWBXSA-N 0 0 250.342 2.096 10 30 CEEERN COC(=O)[C@@H](NC(=O)C1(C#N)CCCCCC1)C(C)C ZINC000044765626 175248949 /nfs/dbraw/zinc/24/89/49/175248949.db2.gz HDNBTXCAGHFEJE-LBPRGKRZSA-N 0 0 280.368 2.164 10 30 CEEERN C[C@H]1CCC[C@H](N(C)C(=O)C2(C#N)CCOCC2)C1 ZINC000044766341 175249503 /nfs/dbraw/zinc/24/95/03/175249503.db2.gz ZUOTUHNNZYEDTA-STQMWFEESA-N 0 0 264.369 2.344 10 30 CEEERN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C#N)C(C)C ZINC000044814109 175258036 /nfs/dbraw/zinc/25/80/36/175258036.db2.gz YOXRCSLPFNNZKV-SNVBAGLBSA-N 0 0 277.280 2.338 10 30 CEEERN CCCC(C#N)(CCC)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000044826383 175259841 /nfs/dbraw/zinc/25/98/41/175259841.db2.gz WZWKIOPOFIYZHC-QWHCGFSZSA-N 0 0 293.411 2.209 10 30 CEEERN CC1(NC(=O)c2ccccc2C#CCO)CCCCC1 ZINC000045047635 175297325 /nfs/dbraw/zinc/29/73/25/175297325.db2.gz CJOGEZBZDBZVPI-UHFFFAOYSA-N 0 0 271.360 2.483 10 30 CEEERN N#CC1(C(=O)N2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000045088831 175304826 /nfs/dbraw/zinc/30/48/26/175304826.db2.gz WXIUABXYWNPOJQ-AWEZNQCLSA-N 0 0 276.380 2.488 10 30 CEEERN Cc1c(C)n(CCCCn2ccnc2)c(N)c1C#N ZINC000045109036 175308705 /nfs/dbraw/zinc/30/87/05/175308705.db2.gz USCLTRLAXGCPBP-UHFFFAOYSA-N 0 0 257.341 2.236 10 30 CEEERN CC(C)N(C)C[C@](C#N)(NC1CC1)c1ccccc1 ZINC000045179342 175324089 /nfs/dbraw/zinc/32/40/89/175324089.db2.gz AYWKNDBWEMZIGM-INIZCTEOSA-N 0 0 257.381 2.498 10 30 CEEERN N#C[C@@](N)(CN(CC(F)(F)F)C1CC1)c1ccccc1 ZINC000045181714 175324560 /nfs/dbraw/zinc/32/45/60/175324560.db2.gz PIPZZIZHCBPKDH-CYBMUJFWSA-N 0 0 283.297 2.391 10 30 CEEERN CCN[C@](C#N)(CN(CCOC)C1CC1)c1ccccc1 ZINC000045182431 175325308 /nfs/dbraw/zinc/32/53/08/175325308.db2.gz ANIPUTTWOVPGKX-QGZVFWFLSA-N 0 0 287.407 2.126 10 30 CEEERN CCN(CCOC)C[C@@](C#N)(NC(C)C)c1ccccc1 ZINC000045182474 175325547 /nfs/dbraw/zinc/32/55/47/175325547.db2.gz HATXBTABVJYMQG-QGZVFWFLSA-N 0 0 289.423 2.372 10 30 CEEERN Cc1nn(C[C@@](N)(C#N)c2ccccc2)c(C)c1C ZINC000045207096 175328402 /nfs/dbraw/zinc/32/84/02/175328402.db2.gz DXFXGWYEANHNSN-HNNXBMFYSA-N 0 0 254.337 2.186 10 30 CEEERN N#C[C@@](N)(COc1ccc2c(c1)OCO2)c1ccccc1 ZINC000045208750 175328897 /nfs/dbraw/zinc/32/88/97/175328897.db2.gz OQPSVPFRTQEHLI-MRXNPFEDSA-N 0 0 282.299 2.172 10 30 CEEERN CCN[C@@](C#N)(COCCCOC)c1ccccc1 ZINC000045207321 175328909 /nfs/dbraw/zinc/32/89/09/175328909.db2.gz HNLNGWPXKYWCGC-HNNXBMFYSA-N 0 0 262.353 2.068 10 30 CEEERN CN[C@@](C)(C#N)COc1cccc2ccc(C)nc21 ZINC000045213218 175329149 /nfs/dbraw/zinc/32/91/49/175329149.db2.gz ALXIYQNQIKUUPB-HNNXBMFYSA-N 0 0 255.321 2.424 10 30 CEEERN CC(C)N[C@](C)(C#N)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000045215624 175329609 /nfs/dbraw/zinc/32/96/09/175329609.db2.gz SDHGONDJAWWRAH-CYBMUJFWSA-N 0 0 281.287 2.393 10 30 CEEERN CN[C@](C)(C#N)CSc1ccc([N+](=O)[O-])cc1 ZINC000045216112 175329652 /nfs/dbraw/zinc/32/96/52/175329652.db2.gz BFZXXPRIMIYXMI-LLVKDONJSA-N 0 0 251.311 2.189 10 30 CEEERN CCCN[C@](C)(C#N)COc1cccc(N(C)C)c1 ZINC000045215136 175329726 /nfs/dbraw/zinc/32/97/26/175329726.db2.gz CBEPZAOQICIEOD-OAHLLOKOSA-N 0 0 261.369 2.413 10 30 CEEERN CCN[C@](C)(C#N)CCSc1ncc(C)cn1 ZINC000045220979 175329909 /nfs/dbraw/zinc/32/99/09/175329909.db2.gz MKZUTZBUFNVWOY-LBPRGKRZSA-N 0 0 250.371 2.159 10 30 CEEERN CN[C@H](C#N)CN1CCC(Cc2ccccc2)CC1 ZINC000045308530 175356400 /nfs/dbraw/zinc/35/64/00/175356400.db2.gz YQEVHOMGJNETER-MRXNPFEDSA-N 0 0 257.381 2.053 10 30 CEEERN CCCN[C@@H](C#N)CN(CC(F)(F)F)C(C)C ZINC000045313441 175357108 /nfs/dbraw/zinc/35/71/08/175357108.db2.gz NOSRXMBFZXLRDV-JTQLQIEISA-N 0 0 251.296 2.151 10 30 CEEERN CCCN[C@@](C)(C#N)CCCOCCOC(C)C ZINC000045326282 175359790 /nfs/dbraw/zinc/35/97/90/175359790.db2.gz GRPGBQGEYVAQSB-CQSZACIVSA-N 0 0 256.390 2.490 10 30 CEEERN C[C@](N)(C#N)CCCSc1nnc2n1CCCCC2 ZINC000045364473 175362377 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C#CCNCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000092482110 180394878 /nfs/dbraw/zinc/39/48/78/180394878.db2.gz XFCQCURSBHLQBJ-BFHYXJOUSA-N 0 0 251.370 2.213 10 30 CEEERN C=CCN[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 ZINC000092595181 180410693 /nfs/dbraw/zinc/41/06/93/180410693.db2.gz UEQFOMWKRWUEFW-AWEZNQCLSA-N 0 0 265.357 2.055 10 30 CEEERN CCc1nc2n(n1)C[C@H](Nc1nc(C)cc(C)c1C#N)CC2 ZINC000108948829 186237764 /nfs/dbraw/zinc/23/77/64/186237764.db2.gz GKUQKMKNLZUUIQ-GFCCVEGCSA-N 0 0 296.378 2.151 10 30 CEEERN C#CCN(CCC)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000108950607 186238353 /nfs/dbraw/zinc/23/83/53/186238353.db2.gz GESRHTIDPDVIJE-UHFFFAOYSA-N 0 0 260.293 2.389 10 30 CEEERN Cc1ccc(NC(=O)c2cccc(O)c2)cc1C#CCO ZINC000109434304 186252461 /nfs/dbraw/zinc/25/24/61/186252461.db2.gz DNXCCEAHKXBWLO-UHFFFAOYSA-N 0 0 281.311 2.297 10 30 CEEERN CC[C@@H](C(=O)N1CCN([C@H](C)C#N)CC1)c1ccccc1 ZINC000109444887 186252830 /nfs/dbraw/zinc/25/28/30/186252830.db2.gz DAZRQYVSMARIFF-GDBMZVCRSA-N 0 0 285.391 2.236 10 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CCC(CC)NC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110949897 186335505 /nfs/dbraw/zinc/33/55/05/186335505.db2.gz UROWWKAGKIZHTN-UHFFFAOYSA-N 0 0 284.363 2.407 10 30 CEEERN C[C@](N)(C#N)CCCn1c2ccccc2nc1CC#N ZINC000110952337 186336707 /nfs/dbraw/zinc/33/67/07/186336707.db2.gz NAHLAWXIRVJIDI-OAHLLOKOSA-N 0 0 267.336 2.124 10 30 CEEERN N#CCc1nc2ccccc2n1Cc1ccnc(N)c1 ZINC000110952364 186337122 /nfs/dbraw/zinc/33/71/22/186337122.db2.gz QVMNMAHLFQYUPC-UHFFFAOYSA-N 0 0 263.304 2.128 10 30 CEEERN O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C#CCO)s1 ZINC000111102331 186352387 /nfs/dbraw/zinc/35/23/87/186352387.db2.gz BGNCGKSMIMJMRX-YNEHKIRRSA-N 0 0 289.400 2.258 10 30 CEEERN CN[C@](C#N)(CSc1ccncn1)c1ccccc1 ZINC000111115097 186353354 /nfs/dbraw/zinc/35/33/54/186353354.db2.gz YJRZCRWFVIAKKM-CQSZACIVSA-N 0 0 270.361 2.207 10 30 CEEERN CCn1c(C)nnc1CN(CCC#N)CC(C)(C)C ZINC000111250667 186377336 /nfs/dbraw/zinc/37/73/36/186377336.db2.gz PIJCLXNVNFXJRO-UHFFFAOYSA-N 0 0 263.389 2.368 10 30 CEEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1N ZINC000111280564 186389097 /nfs/dbraw/zinc/38/90/97/186389097.db2.gz LJYZZGVFXJMRFS-SNVBAGLBSA-N 0 0 266.304 2.026 10 30 CEEERN C=C1C(C(C)=O)=CC(N)=C1C(=O)NCc1ccccc1 ZINC000070451304 363082964 /nfs/dbraw/zinc/08/29/64/363082964.db2.gz IRCCICGBPBUCRG-UHFFFAOYSA-N 0 0 268.316 2.168 10 30 CEEERN C#C[C@H]1O[C@]2(CC[C@H]1C)CC[C@H](C)[C@@H](CCO)O2 ZINC000137111413 187893447 /nfs/dbraw/zinc/89/34/47/187893447.db2.gz ZNBFTWZXEUCEFQ-KHMAMNHCSA-N 0 0 252.354 2.329 10 30 CEEERN C[C@@H](C(=O)OC(C)(C)C)N(C)c1cccc(C#N)n1 ZINC000152467359 188021595 /nfs/dbraw/zinc/02/15/95/188021595.db2.gz PNWQZWHNIJNGLN-JTQLQIEISA-N 0 0 261.325 2.120 10 30 CEEERN N#Cc1cc(N2CCn3ccnc3C2)nc2ccccc12 ZINC000068796391 283108341 /nfs/dbraw/zinc/10/83/41/283108341.db2.gz DKVIFIWPJDJYIN-UHFFFAOYSA-N 0 0 275.315 2.323 10 30 CEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000383876660 540200247 /nfs/dbraw/zinc/20/02/47/540200247.db2.gz XRMXISISMSFPFN-HUUCEWRRSA-N 0 0 275.348 2.164 10 30 CEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000383876664 540200317 /nfs/dbraw/zinc/20/03/17/540200317.db2.gz XRMXISISMSFPFN-LSDHHAIUSA-N 0 0 275.348 2.164 10 30 CEEERN CCOC(=O)Cc1c(O)c(C#N)ccc1C(F)(F)F ZINC000575392226 366271494 /nfs/dbraw/zinc/27/14/94/366271494.db2.gz OQKDCARFMXLWND-UHFFFAOYSA-N 0 0 273.210 2.388 10 30 CEEERN COC(=O)Cc1cc(C#N)c(OC)c(OC(F)(F)F)c1 ZINC000575394454 366273485 /nfs/dbraw/zinc/27/34/85/366273485.db2.gz LLHGCAFGMHFFSK-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(OC)c1OC(F)(F)F ZINC000575394495 366273960 /nfs/dbraw/zinc/27/39/60/366273960.db2.gz NOOPWVPTOZPNKO-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)c1ccc(OC)c(C#N)c1C(F)(F)F ZINC000575394861 366274163 /nfs/dbraw/zinc/27/41/63/366274163.db2.gz QCKDEAPCHPMLGS-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN COC(=O)c1ccc(OC)c(OC(F)(F)F)c1C#N ZINC000575395185 366274948 /nfs/dbraw/zinc/27/49/48/366274948.db2.gz ZONMBZKCBHPUCB-UHFFFAOYSA-N 0 0 275.182 2.252 10 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30 CEEERN CCOc1cc(C#N)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575659408 366318746 /nfs/dbraw/zinc/31/87/46/366318746.db2.gz UWUMPNNCKRJPDA-UHFFFAOYSA-N 0 0 258.180 2.467 10 30 CEEERN CCOc1cc(Br)c(CC#N)cc1N ZINC000575713834 366340221 /nfs/dbraw/zinc/34/02/21/366340221.db2.gz GDTAIFJZBGGOSA-UHFFFAOYSA-N 0 0 255.115 2.496 10 30 CEEERN CCOc1c(Br)cc(N)cc1CC#N ZINC000575715065 366342598 /nfs/dbraw/zinc/34/25/98/366342598.db2.gz ZSKAWXFJSOLDRJ-UHFFFAOYSA-N 0 0 255.115 2.496 10 30 CEEERN N#CCc1c(N)cc([N+](=O)[O-])cc1Br ZINC000575715174 366343112 /nfs/dbraw/zinc/34/31/12/366343112.db2.gz VDEKDUZVOKTWAH-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN N#CCc1ccc(F)c(I)c1N ZINC000575718545 366344128 /nfs/dbraw/zinc/34/41/28/366344128.db2.gz LMKWOTNWTMCROA-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN Cc1cc(N)c(CC#N)c(I)c1 ZINC000575718744 366344321 /nfs/dbraw/zinc/34/43/21/366344321.db2.gz JRTPUZUGFFUTGT-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN C=C[C@](C)(CC)C(=O)N1CCN(CCOC)[C@@H](CC)C1 ZINC000135056539 366390687 /nfs/dbraw/zinc/39/06/87/366390687.db2.gz BZYQYTIJCVTALO-GOEBONIOSA-N 0 0 282.428 2.158 10 30 CEEERN C#CC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000685962253 540663474 /nfs/dbraw/zinc/66/34/74/540663474.db2.gz ADLPOINFEWYECA-QWRGUYRKSA-N 0 0 251.326 2.082 10 30 CEEERN C#CC(=O)[C@@H](CNC(=O)OC(C)(C)C)C1CCC1 ZINC000685961148 540661046 /nfs/dbraw/zinc/66/10/46/540661046.db2.gz CFFNUPKDFNDLLH-NSHDSACASA-N 0 0 251.326 2.130 10 30 CEEERN N#Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000178317431 189107002 /nfs/dbraw/zinc/10/70/02/189107002.db2.gz DJSOBCGWMIPSOD-GXTWGEPZSA-N 0 0 273.336 2.231 10 30 CEEERN Cc1nn(C)c(Cl)c1/C=N/OC(=O)c1ccco1 ZINC000000159854 361137302 /nfs/dbraw/zinc/13/73/02/361137302.db2.gz LYVCDMUMMYDIHA-AWNIVKPZSA-N 0 0 267.672 2.166 10 30 CEEERN CCS[C@@H]1CC[C@@]1(O)CNc1cccc(C#N)n1 ZINC000301474706 201021996 /nfs/dbraw/zinc/02/19/96/201021996.db2.gz AGSZBIQWHJHZNS-DGCLKSJQSA-N 0 0 263.366 2.012 10 30 CEEERN CS(=O)(=O)c1ccc(C#CC(=O)c2ccccc2)cc1 ZINC000013683316 361437018 /nfs/dbraw/zinc/43/70/18/361437018.db2.gz OIHHELVXIPDXIK-UHFFFAOYSA-N 0 0 284.336 2.325 10 30 in-vivo CEEERN COc1cccc(OCCNc2ccc(C#N)cn2)c1 ZINC000025499020 361627370 /nfs/dbraw/zinc/62/73/70/361627370.db2.gz XTHWRDBWBJYTFC-UHFFFAOYSA-N 0 0 269.304 2.453 10 30 CEEERN CC(=O)c1ccc(C#N)cc1NCc1nnc2ccccn21 ZINC000302085989 201338305 /nfs/dbraw/zinc/33/83/05/201338305.db2.gz DWUQMOGTKFYKPC-UHFFFAOYSA-N 0 0 291.314 2.416 10 30 CEEERN C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000097036295 364427860 /nfs/dbraw/zinc/42/78/60/364427860.db2.gz INKTXVGMRIWOFM-UWVGGRQHSA-N 0 0 277.299 2.338 10 30 CEEERN COC(=O)[C@H]1C(=O)C=C(NCc2ccccc2)C[C@@H]1C ZINC000100106373 364539755 /nfs/dbraw/zinc/53/97/55/364539755.db2.gz FYBZDTRKICUAPJ-XHDPSFHLSA-N 0 0 273.332 2.058 10 30 CEEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)CC#N ZINC000103441028 364653034 /nfs/dbraw/zinc/65/30/34/364653034.db2.gz WHGYZSSSRJTMIQ-RYUDHWBXSA-N 0 0 297.399 2.440 10 30 CEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1occc1Br ZINC000335697330 364848057 /nfs/dbraw/zinc/84/80/57/364848057.db2.gz HLKLMYFDVQFPRL-CBAPKCEASA-N 0 0 283.125 2.464 10 30 CEEERN C#CCNC(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000113574772 364905577 /nfs/dbraw/zinc/90/55/77/364905577.db2.gz VCKAJSUOSAUANO-LLVKDONJSA-N 0 0 277.393 2.228 10 30 CEEERN Cn1c(CNc2ccc(F)c(C#N)c2)nnc1C1CC1 ZINC000170844770 367429794 /nfs/dbraw/zinc/42/97/94/367429794.db2.gz KBECLZOPBSXWBO-UHFFFAOYSA-N 0 0 271.299 2.315 10 30 CEEERN COC[C@@H](C)C(=O)NCCSCc1ccccc1C#N ZINC000171431370 367540754 /nfs/dbraw/zinc/54/07/54/367540754.db2.gz BKXPKLFPBLYUEU-GFCCVEGCSA-N 0 0 292.404 2.190 10 30 CEEERN C#CCCCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000179981514 368361825 /nfs/dbraw/zinc/36/18/25/368361825.db2.gz HWSDVQQEINKAJR-HOCLYGCPSA-N 0 0 263.381 2.334 10 30 CEEERN Cc1nc2n(n1)CCC[C@H]2Nc1nccc(C)c1C#N ZINC000181936814 368508008 /nfs/dbraw/zinc/50/80/08/368508008.db2.gz JBLFFTRLPBYPOW-GFCCVEGCSA-N 0 0 268.324 2.109 10 30 CEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@H](C)C#N 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CCC(CC)[C@@H](O)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232898344 370514206 /nfs/dbraw/zinc/51/42/06/370514206.db2.gz OVFFMRICHDIOGN-LBPRGKRZSA-N 0 0 278.312 2.070 10 30 CEEERN COc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000234976544 370551881 /nfs/dbraw/zinc/55/18/81/370551881.db2.gz KDIGDJUFJPHAPM-UHFFFAOYSA-N 0 0 284.275 2.482 10 30 CEEERN CC[C@@H](CSC)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233879595 370525718 /nfs/dbraw/zinc/52/57/18/370525718.db2.gz HKFYFXCOEIWVRK-QMMMGPOBSA-N 0 0 266.326 2.415 10 30 CEEERN C[C@H](C#N)CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000247406204 371104874 /nfs/dbraw/zinc/10/48/74/371104874.db2.gz BUXDPLGXEJADMN-YUELXQCFSA-N 0 0 272.348 2.430 10 30 CEEERN C[C@@H](NC(=O)C#CBr)c1cccs1 ZINC000307425812 376565978 /nfs/dbraw/zinc/56/59/78/376565978.db2.gz PSXGKOUUNQDFJQ-SSDOTTSWSA-N 0 0 258.140 2.281 10 30 CEEERN Cc1cc(N2CC[C@@]3(O)CCCC[C@H]3C2)cc(C#N)n1 ZINC000308268789 376578677 /nfs/dbraw/zinc/57/86/77/376578677.db2.gz DKWNWABKFQKTNH-BBRMVZONSA-N 0 0 271.364 2.393 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2.485 10 30 CEEERN COC(=O)c1cc(C#N)c([N+](=O)[O-])cc1C(F)F ZINC000575344149 395660349 /nfs/dbraw/zinc/66/03/49/395660349.db2.gz QUHSYYOXYJCKAR-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c([N+](=O)[O-])cc1Cl ZINC000575382918 395662516 /nfs/dbraw/zinc/66/25/16/395662516.db2.gz RONQCBPYCRFWTE-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1ccc(Br)c(OC)c1C#N ZINC000575382995 395662583 /nfs/dbraw/zinc/66/25/83/395662583.db2.gz HKGLBPDEOCLDED-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)Cc1c(Br)cc(C#N)cc1OC ZINC000575382999 395662614 /nfs/dbraw/zinc/66/26/14/395662614.db2.gz IDQRXXLJVRBGAO-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)c1c(C#N)cc(O)cc1OC(F)F ZINC000575385657 395662859 /nfs/dbraw/zinc/66/28/59/395662859.db2.gz BOVZMUUTRACNIM-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(C=O)cc1OC(F)F ZINC000575385741 395662883 /nfs/dbraw/zinc/66/28/83/395662883.db2.gz HZLOYWIJBWXYGO-UHFFFAOYSA-N 0 0 283.230 2.078 10 30 CEEERN CCOC(=O)c1cc(C#N)c(OC(F)F)cc1C=O ZINC000575385809 395662932 /nfs/dbraw/zinc/66/29/32/395662932.db2.gz MUZIKFVTTORYGD-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(F)cc1OC(F)F ZINC000575385820 395662950 /nfs/dbraw/zinc/66/29/50/395662950.db2.gz NIRFVLQXTOQEAH-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)Cc1cc(F)cc(OC(F)F)c1C#N ZINC000575385957 395662987 /nfs/dbraw/zinc/66/29/87/395662987.db2.gz PSFYXHBKNYRDGI-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)c1cc(CO)c(C#N)cc1C(F)F ZINC000575387350 395663123 /nfs/dbraw/zinc/66/31/23/395663123.db2.gz CKAWGGMCPGGMIO-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)c1c(F)cc(OC(F)F)cc1C#N ZINC000575386157 395663169 /nfs/dbraw/zinc/66/31/69/395663169.db2.gz WWEYWIMNVSFIOH-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)c([N+](=O)[O-])cc1C#N ZINC000575387261 395663208 /nfs/dbraw/zinc/66/32/08/395663208.db2.gz GECAYSYDSDFBEP-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN COC(=O)Cc1cc(F)c(C#N)c(OC(F)F)c1 ZINC000575386198 395663242 /nfs/dbraw/zinc/66/32/42/395663242.db2.gz ZQSNDGQMNDIRNJ-UHFFFAOYSA-N 0 0 259.183 2.014 10 30 CEEERN CCOC(=O)Cc1ccc(OC)c(C#N)c1OC(F)F ZINC000575388362 395663635 /nfs/dbraw/zinc/66/36/35/395663635.db2.gz FQEVRPDSHAZUIY-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN CCOC(=O)c1c(C#N)ccc(C=O)c1C(F)F ZINC000575389897 395664047 /nfs/dbraw/zinc/66/40/47/395664047.db2.gz SVRJQUBIFLDBEV-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1[N+](=O)[O-] ZINC000575389038 395664066 /nfs/dbraw/zinc/66/40/66/395664066.db2.gz SHBGBISJCRPZLB-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN CCOC(=O)c1cc(C#N)c(C=O)cc1C(F)F ZINC000575389932 395664067 /nfs/dbraw/zinc/66/40/67/395664067.db2.gz UZWBPBZDODOGTM-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN CCOC(=O)c1cc(C=O)cc(C#N)c1C(F)F ZINC000575389774 395664081 /nfs/dbraw/zinc/66/40/81/395664081.db2.gz RGZRSGUCYLICAF-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN CSC1(CNC(=O)C#CBr)CCCC1 ZINC000307731159 400339765 /nfs/dbraw/zinc/33/97/65/400339765.db2.gz JJTCMXGLANJADK-UHFFFAOYSA-N 0 0 276.199 2.134 10 30 CEEERN NC(=NO)c1nccc2c(F)c(Br)ccc21 ZINC000521401528 400602587 /nfs/dbraw/zinc/60/25/87/400602587.db2.gz VWSOQLBXMQMCFH-UHFFFAOYSA-N 0 0 284.088 2.231 10 30 CEEERN CC(C)n1nnnc1CNc1ccc(Cl)c(C#N)c1 ZINC000194987683 153269174 /nfs/dbraw/zinc/26/91/74/153269174.db2.gz NXVOPVYOIJZJPI-UHFFFAOYSA-N 0 0 276.731 2.391 10 30 CEEERN N#Cc1ccc(N[C@@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000231319282 153408821 /nfs/dbraw/zinc/40/88/21/153408821.db2.gz LSBINMILHAFDKN-WCQYABFASA-N 0 0 275.308 2.429 10 30 CEEERN Cc1cc(NCc2ccc(N)nc2)c(C#N)c(C)n1 ZINC000302778812 154193172 /nfs/dbraw/zinc/19/31/72/154193172.db2.gz QIPMYYKRSOXNEI-UHFFFAOYSA-N 0 0 253.309 2.159 10 30 CEEERN CN1CC[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1=O ZINC000166796638 162355097 /nfs/dbraw/zinc/35/50/97/162355097.db2.gz DZVAXHKQRPMFDO-LLVKDONJSA-N 0 0 283.253 2.220 10 30 CEEERN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H]3CO3)cc21 ZINC000001854253 169760470 /nfs/dbraw/zinc/76/04/70/169760470.db2.gz BXCQKWYCADEMTC-GFCCVEGCSA-N 0 0 289.331 2.441 10 30 CEEERN O[C@@H](C#CCn1nnc2ccccc21)C1CCCCC1 ZINC000005520292 170107479 /nfs/dbraw/zinc/10/74/79/170107479.db2.gz WBNBIVLIBXSLFL-INIZCTEOSA-N 0 0 269.348 2.376 10 30 CEEERN C=CC/N=c1\scc(C)n1/N=C/c1ccc(O)c(O)c1 ZINC000005781742 170139886 /nfs/dbraw/zinc/13/98/86/170139886.db2.gz OMFKIZFFLMXWCJ-YOLTYTDCSA-N 0 0 289.360 2.238 10 30 CEEERN COc1ccccc1CN=Nc1oc(C)nc1C#N ZINC000006861439 170250802 /nfs/dbraw/zinc/25/08/02/170250802.db2.gz BUDCFKKMFWVZGM-OVCLIPMQSA-N 0 0 256.265 2.309 10 30 CEEERN O=C1OCC2=C1[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000006909166 170254670 /nfs/dbraw/zinc/25/46/70/170254670.db2.gz YIENUBALWISPDU-AWEZNQCLSA-N 0 0 299.301 2.331 10 30 CEEERN CSc1ccc(CN=Nc2ccc3nncn3n2)cc1 ZINC000008496837 170338246 /nfs/dbraw/zinc/33/82/46/170338246.db2.gz NSZXPCUFNZHSNY-RIYZIHGNSA-N 0 0 284.348 2.292 10 30 CEEERN C=CCNC(=S)N=NC(C)c1ccc(OC)cc1 ZINC000008692000 170345785 /nfs/dbraw/zinc/34/57/85/170345785.db2.gz BBNMGAAYWJNSLK-XNTDXEJSSA-N 0 0 263.366 2.481 10 30 CEEERN C=CCNC(=S)Nc1ccccc1C(=O)OCC ZINC000013812330 170596952 /nfs/dbraw/zinc/59/69/52/170596952.db2.gz PCFOHDPSRZJRHK-UHFFFAOYSA-N 0 0 264.350 2.336 10 30 CEEERN N#Cc1ccccc1NC(=O)Cc1cccc(N)c1 ZINC000020186242 171050247 /nfs/dbraw/zinc/05/02/47/171050247.db2.gz OLNDDVFZFAEWLT-UHFFFAOYSA-N 0 0 251.289 2.322 10 30 CEEERN CCCCNC(=O)[C@@H](C)Oc1ccc(CC#N)cc1 ZINC000020363361 171162426 /nfs/dbraw/zinc/16/24/26/171162426.db2.gz HAELIKRZMJIRGD-GFCCVEGCSA-N 0 0 260.337 2.436 10 30 CEEERN N#Cc1ccc(CS(=O)(=O)Nc2cccc(O)c2)cc1 ZINC000021502222 171305704 /nfs/dbraw/zinc/30/57/04/171305704.db2.gz PSXYXDJUDUSXRA-UHFFFAOYSA-N 0 0 288.328 2.206 10 30 CEEERN COc1ccc(C(=O)Nc2cccc(C#N)c2)cc1N ZINC000022211580 171373965 /nfs/dbraw/zinc/37/39/65/171373965.db2.gz ZCGVRUVVTNIRRK-UHFFFAOYSA-N 0 0 267.288 2.401 10 30 CEEERN COCCN1CN(C(C)C)CC2=C1CC(C)(C)CC2=O ZINC000022239215 171381443 /nfs/dbraw/zinc/38/14/43/171381443.db2.gz VKXQJDGZDWLHET-UHFFFAOYSA-N 0 0 280.412 2.260 10 30 CEEERN N#Cc1ccccc1Oc1ccc(C(N)=O)cc1N ZINC000035331812 172131000 /nfs/dbraw/zinc/13/10/00/172131000.db2.gz LQAIRHJJCLCNNX-UHFFFAOYSA-N 0 0 253.261 2.032 10 30 CEEERN N#Cc1ccc(Sc2nnnn2C2CC2)c(F)c1 ZINC000036886968 172782379 /nfs/dbraw/zinc/78/23/79/172782379.db2.gz PJXFSYJILILOJB-UHFFFAOYSA-N 0 0 261.285 2.170 10 30 CEEERN C=C(C)COc1cc([N+](=O)[O-])c(C=O)cc1OC ZINC000037226461 173046542 /nfs/dbraw/zinc/04/65/42/173046542.db2.gz YTPZSFYSJDAWAV-UHFFFAOYSA-N 0 0 251.238 2.371 10 30 CEEERN C[C@H](C#N)CN(C)C(=O)c1ccc2c(c1)CCCN2 ZINC000037823359 173777700 /nfs/dbraw/zinc/77/77/00/173777700.db2.gz LPPVIOKVQADMSO-LLVKDONJSA-N 0 0 257.337 2.276 10 30 CEEERN C#CCn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000038790974 174155310 /nfs/dbraw/zinc/15/53/10/174155310.db2.gz WETMXYPNKMOPLW-UHFFFAOYSA-N 0 0 289.132 2.306 10 30 CEEERN N#Cc1cc(C(F)(F)F)ccc1-n1cc(N)cn1 ZINC000040516316 174307085 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SVCVUQHTWWHRKU-PSASIEDQSA-N 0 0 254.384 2.041 10 30 CEEERN CCN[C@](C)(C#N)CSc1nc(C)c(C)c(C)n1 ZINC000086644542 179315669 /nfs/dbraw/zinc/31/56/69/179315669.db2.gz IZKRPMXQZMGNCG-CYBMUJFWSA-N 0 0 264.398 2.386 10 30 CEEERN Cc1cccc(N[C@@]2(C#N)CCC[C@@H]2S(C)(=O)=O)c1 ZINC000086677434 179319606 /nfs/dbraw/zinc/31/96/06/179319606.db2.gz SIQYNTYQRSYQOH-UONOGXRCSA-N 0 0 278.377 2.266 10 30 CEEERN CC(C)N(CC#N)C(=O)c1c(F)cc(F)cc1F ZINC000086996810 179377264 /nfs/dbraw/zinc/37/72/64/179377264.db2.gz KAZMHRZGTPRKGQ-UHFFFAOYSA-N 0 0 256.227 2.478 10 30 CEEERN C[C@@H]1CCC[C@@](O)(CNC(=O)c2cccc(C#N)c2)C1 ZINC000087071511 179391764 /nfs/dbraw/zinc/39/17/64/179391764.db2.gz QTAHJFIIEKLWMK-WBMJQRKESA-N 0 0 272.348 2.229 10 30 CEEERN COC(=O)N1CCO[C@H](c2ccc(C#N)cc2)CC1 ZINC000616664925 348554398 /nfs/dbraw/zinc/55/43/98/348554398.db2.gz WTMZJXYUBAREEZ-ZDUSSCGKSA-N 0 0 260.293 2.088 10 30 CEEERN N#CCC1(CN2C(=O)NC(=O)C23CCCCCC3)CC1 ZINC000088257288 179571812 /nfs/dbraw/zinc/57/18/12/179571812.db2.gz 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C[C@H]1CCC[C@](O)(CNC(=O)c2cccc(C#N)c2)C1 ZINC000087071510 179392037 /nfs/dbraw/zinc/39/20/37/179392037.db2.gz QTAHJFIIEKLWMK-BLLLJJGKSA-N 0 0 272.348 2.229 10 30 CEEERN OCC#Cc1ccc(OCCc2ccccn2)cc1F ZINC000087438264 179426348 /nfs/dbraw/zinc/42/63/48/179426348.db2.gz MGLDBDGGEYELLD-UHFFFAOYSA-N 0 0 271.291 2.186 10 30 CEEERN OCC#Cc1ccc(OCc2cccnc2)cc1F ZINC000087438154 179426388 /nfs/dbraw/zinc/42/63/88/179426388.db2.gz DYXWRXMHMDPSBT-UHFFFAOYSA-N 0 0 257.264 2.144 10 30 CEEERN C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000087677762 179468740 /nfs/dbraw/zinc/46/87/40/179468740.db2.gz NLXPVPANGYBMMV-KGLIPLIRSA-N 0 0 296.411 2.056 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000087567124 179446605 /nfs/dbraw/zinc/44/66/05/179446605.db2.gz USIBNSCXXUPOLJ-CYBMUJFWSA-N 0 0 291.420 2.425 10 30 CEEERN O=C(Cc1ccccc1)Nc1ccc(C#CCO)c(F)c1 ZINC000088082477 179545938 /nfs/dbraw/zinc/54/59/38/179545938.db2.gz IAURYHAQGFDWRG-UHFFFAOYSA-N 0 0 283.302 2.351 10 30 CEEERN COC(=O)N1CCO[C@H](c2ccccc2C#N)CC1 ZINC000616662955 348553830 /nfs/dbraw/zinc/55/38/30/348553830.db2.gz FSNFIHRCCBBXHK-ZDUSSCGKSA-N 0 0 260.293 2.088 10 30 CEEERN N#Cc1ccccc1[C@H]1c2ccccc2CCN1CCO ZINC000616678464 348557922 /nfs/dbraw/zinc/55/79/22/348557922.db2.gz IMWNEWBTZMRREL-GOSISDBHSA-N 0 0 278.355 2.498 10 30 CEEERN CC[C@H](C#N)S(=O)(=O)N[C@H](C)c1cccs1 ZINC000088476083 179611128 /nfs/dbraw/zinc/61/11/28/179611128.db2.gz SUSAPLUWNOZINX-RKDXNWHRSA-N 0 0 258.368 2.031 10 30 CEEERN COC(=O)c1ccnc(Oc2cccc(C#N)c2)c1N ZINC000088804444 179674930 /nfs/dbraw/zinc/67/49/30/179674930.db2.gz ICKWQWKNBLXXBA-UHFFFAOYSA-N 0 0 269.260 2.114 10 30 CEEERN C=CC[C@H](CO)NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000248487980 539699573 /nfs/dbraw/zinc/69/95/73/539699573.db2.gz GLVFTORMPSJNMH-OAGGEKHMSA-N 0 0 289.375 2.208 10 30 CEEERN CCc1nn(CC)c(CN(C)CC#N)c1Br ZINC000089349964 179771764 /nfs/dbraw/zinc/77/17/64/179771764.db2.gz SZFQIHIMWJJKRI-UHFFFAOYSA-N 0 0 285.189 2.183 10 30 CEEERN 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CCC[C@@H](C#N)N1CCN(C(=O)c2ccc(C)o2)CC1 ZINC000109447102 186253231 /nfs/dbraw/zinc/25/32/31/186253231.db2.gz RIVVLKREAMPPAQ-ZDUSSCGKSA-N 0 0 275.352 2.038 10 30 CEEERN CCC[C@H](C#N)N1CCN(CCOCCC(C)C)CC1 ZINC000109458370 186253892 /nfs/dbraw/zinc/25/38/92/186253892.db2.gz WDLDAPZPSOSGAR-MRXNPFEDSA-N 0 0 281.444 2.359 10 30 CEEERN CC[C@H](C#N)N1CCN(c2nc3ccccc3o2)CC1 ZINC000109464932 186254243 /nfs/dbraw/zinc/25/42/43/186254243.db2.gz DMRNPVJWDLBTIL-GFCCVEGCSA-N 0 0 270.336 2.252 10 30 CEEERN CC[C@@H](C#N)N1CCN(Cc2cccc(OC)c2)CC1 ZINC000109454725 186254269 /nfs/dbraw/zinc/25/42/69/186254269.db2.gz QAPQLWSWKJQYIB-HNNXBMFYSA-N 0 0 273.380 2.115 10 30 CEEERN Cc1nnc(SCCC[C@](C)(C#N)NC(C)C)n1C ZINC000110028231 186281725 /nfs/dbraw/zinc/28/17/25/186281725.db2.gz BXTVYQKAXMKORW-CYBMUJFWSA-N 0 0 281.429 2.276 10 30 CEEERN Cc1nnc(SCc2ccc(C#CCCO)cc2)n1C ZINC000109982349 186282071 /nfs/dbraw/zinc/28/20/71/186282071.db2.gz GGCSEKCTAURUPG-UHFFFAOYSA-N 0 0 287.388 2.150 10 30 CEEERN C=CCN(CCOCCC(C)C)CC(=O)OCC ZINC000110072060 186284087 /nfs/dbraw/zinc/28/40/87/186284087.db2.gz QHANNVDYSFQEIQ-UHFFFAOYSA-N 0 0 257.374 2.100 10 30 CEEERN N#Cc1ccc(NC(=O)CCCO[C@H]2CCOC2)cc1 ZINC000110527741 186301613 /nfs/dbraw/zinc/30/16/13/186301613.db2.gz BLQBGGXPWRLIRU-AWEZNQCLSA-N 0 0 274.320 2.082 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2ccc(C#CCO)c(F)c2)CC1 ZINC000110817721 186326464 /nfs/dbraw/zinc/32/64/64/186326464.db2.gz LRGHGDIZEKTXLA-CYBMUJFWSA-N 0 0 289.350 2.432 10 30 CEEERN CN[C@](C#N)(CSc1cnccn1)c1ccccc1 ZINC000110914362 186331983 /nfs/dbraw/zinc/33/19/83/186331983.db2.gz UPOUXIWUOOROLT-CQSZACIVSA-N 0 0 270.361 2.207 10 30 CEEERN OCC#Cc1ccc(CSc2cnccn2)s1 ZINC000110914172 186332668 /nfs/dbraw/zinc/33/26/68/186332668.db2.gz AXNWPADMHQAMCA-UHFFFAOYSA-N 0 0 262.359 2.174 10 30 CEEERN CCCCNC(=O)Cn1c(CC#N)nc2ccccc21 ZINC000110950209 186336045 /nfs/dbraw/zinc/33/60/45/186336045.db2.gz FNKBNNGGJIBBQB-UHFFFAOYSA-N 0 0 270.336 2.019 10 30 CEEERN N#Cc1ccccc1S(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111090744 186351964 /nfs/dbraw/zinc/35/19/64/186351964.db2.gz LJNCCICTOUPOLM-OUCADQQQSA-N 0 0 290.388 2.273 10 30 CEEERN CCCOCCOC[C@](C#N)(NC)c1ccccc1 ZINC000111110186 186353390 /nfs/dbraw/zinc/35/33/90/186353390.db2.gz VIVYGZVCHPDIDV-HNNXBMFYSA-N 0 0 262.353 2.068 10 30 CEEERN N#CCc1nc2ccccc2n1-c1ccnc(C#N)c1 ZINC000111237845 186373623 /nfs/dbraw/zinc/37/36/23/186373623.db2.gz BYUNRNAUYBORRR-UHFFFAOYSA-N 0 0 259.272 2.358 10 30 CEEERN CC(C)n1nnnc1CN(CCC#N)CC(C)(C)C ZINC000111250823 186377429 /nfs/dbraw/zinc/37/74/29/186377429.db2.gz RFWKMAZXAWPPRN-UHFFFAOYSA-N 0 0 264.377 2.016 10 30 CEEERN N#Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)nc1 ZINC000111275891 186386520 /nfs/dbraw/zinc/38/65/20/186386520.db2.gz JFYKSUPTHAJJQV-ZDUSSCGKSA-N 0 0 279.299 2.207 10 30 CEEERN CC1(C)C[C@@H]1NC(=O)c1sccc1C#CCCO ZINC000111535028 186427016 /nfs/dbraw/zinc/42/70/16/186427016.db2.gz JMGXTXSARDRKHL-NSHDSACASA-N 0 0 263.362 2.010 10 30 CEEERN C=CCOc1ccc(CN(C)C(=O)COCC)cc1 ZINC000070237308 363058776 /nfs/dbraw/zinc/05/87/76/363058776.db2.gz PKAKBJZMWQMHIZ-UHFFFAOYSA-N 0 0 263.337 2.246 10 30 CEEERN COCC(=O)[C@H](C#N)c1ccc(Br)cc1 ZINC000072417149 363132768 /nfs/dbraw/zinc/13/27/68/363132768.db2.gz DFGHLWIUERMAFS-SNVBAGLBSA-N 0 0 268.110 2.272 10 30 CEEERN CC(C)(C)OC(=O)N1CCC[C@]2(C1)OCC[C@H]2C#N ZINC000675080676 540119850 /nfs/dbraw/zinc/11/98/50/540119850.db2.gz SJCNBKITYGDUHV-SMDDNHRTSA-N 0 0 266.341 2.316 10 30 CEEERN COC(=O)c1c(C=O)ccc(OC(F)(F)F)c1C#N ZINC000575390842 366267717 /nfs/dbraw/zinc/26/77/17/366267717.db2.gz FERXLTUTQHKWOP-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN COC(=O)c1cc(C#N)c(OC(F)(F)F)cc1C=O ZINC000575391251 366268110 /nfs/dbraw/zinc/26/81/10/366268110.db2.gz QSIUGAXZNVWVLA-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN COC(=O)c1ccc(C(F)(F)F)c(C=O)c1C#N ZINC000575391049 366268496 /nfs/dbraw/zinc/26/84/96/366268496.db2.gz GMLYRDGHQSXPLM-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1C=O ZINC000575391797 366269624 /nfs/dbraw/zinc/26/96/24/366269624.db2.gz VILXNDCZZRWSKQ-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN COC(=O)Cc1cc(C(F)(F)F)cc(C=O)c1C#N ZINC000575391775 366269712 /nfs/dbraw/zinc/26/97/12/366269712.db2.gz UAGYULLYJQGKMW-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)Cc1c(O)c(OC(F)(F)F)ccc1C#N ZINC000575391664 366269837 /nfs/dbraw/zinc/26/98/37/366269837.db2.gz CMVUXJVLSZHPMZ-UHFFFAOYSA-N 0 0 289.209 2.268 10 30 CEEERN CCOC(=O)c1c(O)ccc(C#N)c1OC(F)(F)F ZINC000575391831 366269969 /nfs/dbraw/zinc/26/99/69/366269969.db2.gz QTTSRIQKOAKIRO-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN CCOC(=O)c1c(O)cc(C(F)(F)F)cc1C#N ZINC000575392347 366271149 /nfs/dbraw/zinc/27/11/49/366271149.db2.gz UQSPYNYEMAWWLU-UHFFFAOYSA-N 0 0 259.183 2.459 10 30 CEEERN COC(=O)Cc1ccc(OC)c(C#N)c1C(F)(F)F ZINC000575395098 366274604 /nfs/dbraw/zinc/27/46/04/366274604.db2.gz XBPMIVGLGJMHIL-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN 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10 30 CEEERN N#CCc1ccc(F)c(I)c1 ZINC000143055393 366568791 /nfs/dbraw/zinc/56/87/91/366568791.db2.gz RAXTZQBBZBGNJW-UHFFFAOYSA-N 0 0 261.037 2.496 10 30 CEEERN C[C@H](C#N)[S@@](=O)c1ccc(N)cc1Br ZINC000148308406 366581611 /nfs/dbraw/zinc/58/16/11/366581611.db2.gz LGPJBNBPRACADQ-RCNPXXIZSA-N 0 0 273.155 2.051 10 30 CEEERN C#CCCCCC(=O)N1CCC(c2nncn2CC)CC1 ZINC000179913384 189227676 /nfs/dbraw/zinc/22/76/76/189227676.db2.gz IDYYBANBNVTQRL-UHFFFAOYSA-N 0 0 288.395 2.198 10 30 CEEERN CCS[C@@H]1CC[C@]1(O)CNc1ncccc1C#N ZINC000301485249 201025091 /nfs/dbraw/zinc/02/50/91/201025091.db2.gz HAVMJGQAQWLVAE-YPMHNXCESA-N 0 0 263.366 2.012 10 30 CEEERN C[C@H](NC(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000097473473 364505258 /nfs/dbraw/zinc/50/52/58/364505258.db2.gz VCOXOBUANMHEQN-ZANVPECISA-N 0 0 277.299 2.386 10 30 CEEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)CC#N ZINC000103441033 364654664 /nfs/dbraw/zinc/65/46/64/364654664.db2.gz WHGYZSSSRJTMIQ-NEPJUHHUSA-N 0 0 297.399 2.440 10 30 CEEERN O=C(OCC(F)(F)[C@@H](F)C(F)(F)F)C(F)F ZINC000103542503 364663903 /nfs/dbraw/zinc/66/39/03/364663903.db2.gz PNPZHOXEDSOFEZ-SCSAIBSYSA-N 0 0 260.080 2.330 10 30 CEEERN Cn1cc([C@H]2CCN(c3ncc(C#N)cc3Cl)C2)cn1 ZINC000116264769 365047504 /nfs/dbraw/zinc/04/75/04/365047504.db2.gz AMIGRPLQGTWMTI-NSHDSACASA-N 0 0 287.754 2.334 10 30 CEEERN CCn1c(C)nnc1COc1ccc(C#N)c(F)c1 ZINC000171000143 367460193 /nfs/dbraw/zinc/46/01/93/367460193.db2.gz YDXFYEXGUNFSKV-UHFFFAOYSA-N 0 0 260.272 2.196 10 30 CEEERN Cn1cc([C@@H]2CCN(C(=O)c3cccc(CC#N)c3)C2)cn1 ZINC000172262923 367706430 /nfs/dbraw/zinc/70/64/30/367706430.db2.gz KZUGFCDYCJWUSU-OAHLLOKOSA-N 0 0 294.358 2.116 10 30 CEEERN C=CCCC[C@@H](C)NC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000245881435 370883824 /nfs/dbraw/zinc/88/38/24/370883824.db2.gz KVYUMIOHOYFHGD-CABCVRRESA-N 0 0 297.443 2.093 10 30 CEEERN C[C@@H](NCc1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000173361577 367902578 /nfs/dbraw/zinc/90/25/78/367902578.db2.gz TXTWJIYKVCLQDG-GFCCVEGCSA-N 0 0 281.363 2.337 10 30 CEEERN C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175755596 368173748 /nfs/dbraw/zinc/17/37/48/368173748.db2.gz BPGPPXXJPJUJMV-NEPJUHHUSA-N 0 0 285.384 2.156 10 30 CEEERN C#CCCCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000179981503 368361045 /nfs/dbraw/zinc/36/10/45/368361045.db2.gz HWSDVQQEINKAJR-GOEBONIOSA-N 0 0 263.381 2.334 10 30 CEEERN CC(C)[C@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000184593390 368706870 /nfs/dbraw/zinc/70/68/70/368706870.db2.gz QBUBSAZBRSPDPE-NSHDSACASA-N 0 0 298.350 2.305 10 30 CEEERN C=C(C)C[C@@H](C)C(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000185535329 368821056 /nfs/dbraw/zinc/82/10/56/368821056.db2.gz SKWFSODHNRUUOS-CABCVRRESA-N 0 0 291.395 2.021 10 30 CEEERN C#C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000186039059 368910594 /nfs/dbraw/zinc/91/05/94/368910594.db2.gz WDRFQMNXFJGCDI-JQWIXIFHSA-N 0 0 284.281 2.481 10 30 CEEERN C#C[C@H](C)NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000186051512 368911966 /nfs/dbraw/zinc/91/19/66/368911966.db2.gz XDEHAIAAVIJLQP-WDEREUQCSA-N 0 0 276.336 2.086 10 30 CEEERN C=CCCO[C@H](C)C(=O)N[C@@H]1COc2ccccc21 ZINC000194890578 370085803 /nfs/dbraw/zinc/08/58/03/370085803.db2.gz IMZSHMQRXYWJOC-DGCLKSJQSA-N 0 0 261.321 2.218 10 30 CEEERN Cn1nccc1C1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000195512725 370135498 /nfs/dbraw/zinc/13/54/98/370135498.db2.gz KXSAZSSFENCRDY-ZDUSSCGKSA-N 0 0 271.368 2.043 10 30 CEEERN N#Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000219070099 370217713 /nfs/dbraw/zinc/21/77/13/370217713.db2.gz VSFGZLCCIFVNOC-GXTWGEPZSA-N 0 0 273.336 2.231 10 30 CEEERN Cc1cc(NCCOCC(F)F)c(C#N)c(C)n1 ZINC000231677861 370486564 /nfs/dbraw/zinc/48/65/64/370486564.db2.gz SBCWMWLABNJBCX-UHFFFAOYSA-N 0 0 255.268 2.264 10 30 CEEERN CS[C@H](C)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235051779 370555527 /nfs/dbraw/zinc/55/55/27/370555527.db2.gz NJPTVOKBFMHUIB-SSDOTTSWSA-N 0 0 252.299 2.025 10 30 CEEERN CCc1cnc(CNc2ccc([N+](=O)[O-])c(C#N)n2)s1 ZINC000234264793 370532169 /nfs/dbraw/zinc/53/21/69/370532169.db2.gz LKTXKYALHJZSKM-UHFFFAOYSA-N 0 0 289.320 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251.326 2.272 10 30 CEEERN NC(=NC(=O)c1ccccn1)Nc1nc2ccccc2s1 ZINC000005740091 184532699 /nfs/dbraw/zinc/53/26/99/184532699.db2.gz MVTOCSUWMOQIMO-UHFFFAOYSA-N 0 0 297.343 2.258 10 30 CEEERN NC(=NC(=O)c1ccncc1)Nc1nc2ccccc2s1 ZINC000005740092 184532700 /nfs/dbraw/zinc/53/27/00/184532700.db2.gz KCUBDWIZKMHREI-UHFFFAOYSA-N 0 0 297.343 2.258 10 30 CEEERN COc1ccc([N+](=O)[O-])c(NCc2ccc(C#N)cc2)n1 ZINC000081005106 177753781 /nfs/dbraw/zinc/75/37/81/177753781.db2.gz YKQFKHALHXKKSL-UHFFFAOYSA-N 0 0 284.275 2.482 10 30 CEEERN CCN[C@]1(C#N)CCC[C@H](Sc2nncs2)C1 ZINC000093747014 184712248 /nfs/dbraw/zinc/71/22/48/184712248.db2.gz OGXCKWNAJGCWIO-GXSJLCMTSA-N 0 0 268.411 2.445 10 30 CEEERN CN[C@]1(C#N)CC[C@@H](Sc2nnc3n2CCCCC3)C1 ZINC000093806331 184724331 /nfs/dbraw/zinc/72/43/31/184724331.db2.gz ALDOJTYAZBLRKR-BXUZGUMPSA-N 0 0 291.424 2.131 10 30 CEEERN CC[C@@H](NC(=O)c1csc(C#CCO)c1)C(C)C ZINC000093974386 184747193 /nfs/dbraw/zinc/74/71/93/184747193.db2.gz GIQSOZDIGDGKSU-CYBMUJFWSA-N 0 0 265.378 2.256 10 30 CEEERN N#Cc1ccccc1N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000094366065 184789870 /nfs/dbraw/zinc/78/98/70/184789870.db2.gz IPBHKPUBGZOEFV-ZFWWWQNUSA-N 0 0 258.321 2.308 10 30 CEEERN C=CCN1c2ccccc2C(=O)NC2(CCCC2)C1=O ZINC000094420119 184794830 /nfs/dbraw/zinc/79/48/30/184794830.db2.gz INZNOTUOFRYJBL-UHFFFAOYSA-N 0 0 270.332 2.262 10 30 CEEERN C=CCN1c2ccccc2C(=O)N[C@@H](C(C)(C)C)C1=O ZINC000094420160 184794964 /nfs/dbraw/zinc/79/49/64/184794964.db2.gz HLLKAIJPXYDVGQ-CYBMUJFWSA-N 0 0 272.348 2.364 10 30 CEEERN C[C@@H]1CCC[C@@](CO)(Nc2ccc(C#N)c(N)c2)C1 ZINC000094590837 184822179 /nfs/dbraw/zinc/82/21/79/184822179.db2.gz NQJQTMABGFBKMB-IAQYHMDHSA-N 0 0 259.353 2.494 10 30 CEEERN Fc1ccc(/C=N\N2CCN(c3ccccn3)CC2)cc1 ZINC000005033228 134653414 /nfs/dbraw/zinc/65/34/14/134653414.db2.gz HDBZYDYSLQBLLA-UYRXBGFRSA-N 0 0 284.338 2.377 10 30 CEEERN Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000573785575 395617716 /nfs/dbraw/zinc/61/77/16/395617716.db2.gz DKIUAXBKHPUJJE-JSGCOSHPSA-N 0 0 276.361 2.040 10 30 CEEERN CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C#N ZINC000575382870 395662308 /nfs/dbraw/zinc/66/23/08/395662308.db2.gz KRQCHYXOPYVILB-UHFFFAOYSA-N 0 0 254.629 2.297 10 30 CEEERN CCOC(=O)Cc1ccc(C=O)c(C#N)c1Br ZINC000575382970 395662585 /nfs/dbraw/zinc/66/25/85/395662585.db2.gz FAHFNXQWAXJUFI-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN COC(=O)Cc1cc(OC(F)F)c(C)cc1C#N ZINC000575387256 395663243 /nfs/dbraw/zinc/66/32/43/395663243.db2.gz FZLWBSGTTCGDRX-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)c1c(CO)ccc(C#N)c1C(F)F ZINC000575387789 395663361 /nfs/dbraw/zinc/66/33/61/395663361.db2.gz OHBGDFAYJIZKJI-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN CCOC(=O)Cc1ccc(CO)c(C(F)F)c1C#N ZINC000575388141 395663375 /nfs/dbraw/zinc/66/33/75/395663375.db2.gz YYVLCTUSQJCNIQ-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)Cc1c(CO)c(C#N)ccc1C(F)F ZINC000575387677 395663397 /nfs/dbraw/zinc/66/33/97/395663397.db2.gz LHVLRZBVZNHKOE-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)Cc1ccc(C(F)F)c(C=O)c1C#N ZINC000575387797 395663433 /nfs/dbraw/zinc/66/34/33/395663433.db2.gz OQFDZXOMZOJNFT-UHFFFAOYSA-N 0 0 267.231 2.414 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(CO)cc1C(F)F ZINC000575387845 395663441 /nfs/dbraw/zinc/66/34/41/395663441.db2.gz PZFFOGAYLICCPF-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN COC(=O)Cc1cc(C)c(C#N)c(OC(F)F)c1 ZINC000575388383 395663605 /nfs/dbraw/zinc/66/36/05/395663605.db2.gz SRDGOEONHBQYGO-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)c1ccc(OC(F)F)c(C#N)c1OC ZINC000575388698 395663841 /nfs/dbraw/zinc/66/38/41/395663841.db2.gz ULFOJEJZTUJSGD-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN COC(=O)Cc1ccc(C#N)c([N+](=O)[O-])c1C(F)F ZINC000575389306 395664076 /nfs/dbraw/zinc/66/40/76/395664076.db2.gz KZKOFYQWEBOWEX-UHFFFAOYSA-N 0 0 270.191 2.120 10 30 CEEERN N#Cc1cnccc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000364906170 156068602 /nfs/dbraw/zinc/06/86/02/156068602.db2.gz KEMGMMXJQINXFG-DZGCQCFKSA-N 0 0 257.337 2.085 10 30 CEEERN N#Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)c[nH]1 ZINC000181165095 165332235 /nfs/dbraw/zinc/33/22/35/165332235.db2.gz ORXMDKHVULVZNO-CYBMUJFWSA-N 0 0 267.288 2.140 10 30 CEEERN N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)c[nH]1 ZINC000181300172 165337661 /nfs/dbraw/zinc/33/76/61/165337661.db2.gz QJBJQERNYXVFMJ-GFCCVEGCSA-N 0 0 255.277 2.457 10 30 CEEERN C=CCNC(=S)N(C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000004289932 169953409 /nfs/dbraw/zinc/95/34/09/169953409.db2.gz RVGIFYZQHXVXGO-WCQYABFASA-N 0 0 264.394 2.101 10 30 CEEERN C=CCNC(=S)N/N=C(\C)c1cccc(NC(C)=O)c1 ZINC000005020153 170056851 /nfs/dbraw/zinc/05/68/51/170056851.db2.gz WFDIMLDAQZNTTP-LICLKQGHSA-N 0 0 290.392 2.019 10 30 CEEERN Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccccn2)cc1 ZINC000006214028 170183146 /nfs/dbraw/zinc/18/31/46/170183146.db2.gz LMFPAEOZVRQOIN-LFIBNONCSA-N 0 0 289.360 2.045 10 30 CEEERN Cc1nc(C#N)c(N=NCc2ccccc2[N+](=O)[O-])o1 ZINC000006861441 170250695 /nfs/dbraw/zinc/25/06/95/170250695.db2.gz IRAJBGYLIZNGKM-VGOFMYFVSA-N 0 0 271.236 2.209 10 30 CEEERN N#Cc1ccc(CSc2n[nH]c(=O)n2C2CC2)cc1 ZINC000008211990 170324891 /nfs/dbraw/zinc/32/48/91/170324891.db2.gz FIOZLERSFBRJKN-UHFFFAOYSA-N 0 0 272.333 2.070 10 30 CEEERN C=CCOc1cccc(NC(=O)/C=C/C(=O)OCC)c1 ZINC000008904923 170358096 /nfs/dbraw/zinc/35/80/96/170358096.db2.gz NPLIISFUBRFMKZ-CMDGGOBGSA-N 0 0 275.304 2.309 10 30 CEEERN C=CCN[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000020176089 171042357 /nfs/dbraw/zinc/04/23/57/171042357.db2.gz KQKCRVOCPQQRDF-NSHDSACASA-N 0 0 262.309 2.053 10 30 CEEERN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)Nc2ccccc21 ZINC000033436738 171797309 /nfs/dbraw/zinc/79/73/09/171797309.db2.gz INXITDUVMMOWQZ-PTZVLDCSSA-N 0 0 283.283 2.092 10 30 CEEERN CCC(CC)N(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000035208058 172054003 /nfs/dbraw/zinc/05/40/03/172054003.db2.gz FJJVDZWYJDNRDZ-UHFFFAOYSA-N 0 0 266.366 2.367 10 30 CEEERN COP(=O)(COS(=O)(=O)c1ccc(C)cc1)OC ZINC000035323419 172126283 /nfs/dbraw/zinc/12/62/83/172126283.db2.gz WGQMNJYLZXTHIN-UHFFFAOYSA-N 0 0 294.265 2.144 10 30 CEEERN 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CEEERN CC(C)CCC(=O)NCc1cc(C#CCO)ccc1F ZINC000049588780 519635828 /nfs/dbraw/zinc/63/58/28/519635828.db2.gz WCVSPEGWDLPMJF-UHFFFAOYSA-N 0 0 277.339 2.222 10 30 CEEERN CC(C)N(CC1CC1)C(=O)c1ccc(C#CCCO)cn1 ZINC000061862803 519640316 /nfs/dbraw/zinc/64/03/16/519640316.db2.gz MTBOEVTXSYTLEW-UHFFFAOYSA-N 0 0 286.375 2.076 10 30 CEEERN CC(C)CN(CC(N)=O)c1ccc(Cl)cc1C#N ZINC000052859736 519714291 /nfs/dbraw/zinc/71/42/91/519714291.db2.gz CZNAVRRTERREST-UHFFFAOYSA-N 0 0 265.744 2.159 10 30 CEEERN CC(C)N[C@@H](C#N)CCOc1ccc2c(c1)CCC(=O)N2 ZINC000062444936 519733745 /nfs/dbraw/zinc/73/37/45/519733745.db2.gz YKZZUJBQRUUDKX-CYBMUJFWSA-N 0 0 287.363 2.230 10 30 CEEERN CC(C)c1ncc(N)c(C(=O)Nc2ccc(C#N)cc2)n1 ZINC000050699418 519876275 /nfs/dbraw/zinc/87/62/75/519876275.db2.gz MUGUVRFONYOIQD-UHFFFAOYSA-N 0 0 281.319 2.306 10 30 CEEERN CC(C)n1c(SCc2ccccc2C#N)n[nH]c1=O ZINC000061595461 519922634 /nfs/dbraw/zinc/92/26/34/519922634.db2.gz GJGHTWAWDNDCNY-UHFFFAOYSA-N 0 0 274.349 2.316 10 30 CEEERN CCN[C@@H](C#N)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050441991 520057693 /nfs/dbraw/zinc/05/76/93/520057693.db2.gz LJZLAEPROKERQZ-NSHDSACASA-N 0 0 263.297 2.092 10 30 CEEERN CCCNc1ccc(S(=O)(=O)N(C)C[C@H](C)C#N)cc1 ZINC000050670661 520166228 /nfs/dbraw/zinc/16/62/28/520166228.db2.gz FVRKPWDKKDYONN-GFCCVEGCSA-N 0 0 295.408 2.289 10 30 CEEERN CCNc1ccc(S(=O)(=O)N(CCC#N)C(C)C)cc1 ZINC000050675833 520319103 /nfs/dbraw/zinc/31/91/03/520319103.db2.gz PAASJFKRMDAFCN-UHFFFAOYSA-N 0 0 295.408 2.431 10 30 CEEERN CCNc1cnc(C(C)C)nc1C(=O)N(C)[C@H](C)CC#N ZINC000063098426 520349155 /nfs/dbraw/zinc/34/91/55/520349155.db2.gz MFWPWVIIKQUMJJ-LLVKDONJSA-N 0 0 289.383 2.406 10 30 CEEERN CCN(CC(=O)c1ccc(OC)c(F)c1)C[C@H](C)C#N ZINC000050153356 520387655 /nfs/dbraw/zinc/38/76/55/520387655.db2.gz UVSGEASNLUTTGG-LLVKDONJSA-N 0 0 278.327 2.499 10 30 CEEERN CC1(C)CN(Cc2cccc(C#CCCO)c2)CCO1 ZINC000049613267 520479572 /nfs/dbraw/zinc/47/95/72/520479572.db2.gz NELWOSZGYUWWLC-UHFFFAOYSA-N 0 0 273.376 2.031 10 30 CEEERN CC1(C)COCCN1Cc1cccc(C#CCCO)c1 ZINC000049614869 520505860 /nfs/dbraw/zinc/50/58/60/520505860.db2.gz SCANIVUHYMXSRA-UHFFFAOYSA-N 0 0 273.376 2.031 10 30 CEEERN CCN(CC)c1nc(Cl)nc(N(CC)C[C@@H](C)C#N)n1 ZINC000061539832 520925885 /nfs/dbraw/zinc/92/58/85/520925885.db2.gz ZIWKNYUJEONUKX-JTQLQIEISA-N 0 0 296.806 2.357 10 30 CEEERN CCN(CCC#N)Cc1nc2sccc2c(N)n1 ZINC000050816431 520980409 /nfs/dbraw/zinc/98/04/09/520980409.db2.gz YUVWCPKZXUYSNQ-UHFFFAOYSA-N 0 0 261.354 2.009 10 30 CEEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(NC)ccc1[N+](=O)[O-] ZINC000050788510 521189361 /nfs/dbraw/zinc/18/93/61/521189361.db2.gz NTABKHPJRSWWQM-JTQLQIEISA-N 0 0 290.323 2.258 10 30 CEEERN CCCc1[nH]nc(C(=O)Nc2ccccc2C#N)c1N ZINC000050321855 521329586 /nfs/dbraw/zinc/32/95/86/521329586.db2.gz RMTGLQIZAXBKFX-UHFFFAOYSA-N 0 0 269.308 2.068 10 30 CEEERN Cc1cnc([C@H](C)NC(=O)N2CCO[C@H]3CCC[C@H]32)o1 ZINC000330278833 534629536 /nfs/dbraw/zinc/62/95/36/534629536.db2.gz QDKRILIVZVYPPO-TUAOUCFPSA-N 0 0 279.340 2.211 10 30 CEEERN CN[C@@](C)(C#N)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1OC ZINC000068623314 522405884 /nfs/dbraw/zinc/40/58/84/522405884.db2.gz DYINIMMDOMVSPZ-IINYFYTJSA-N 0 0 293.323 2.262 10 30 CEEERN CCc1nc2ccccc2n1C[C@@H](C#N)NC1CC1 ZINC000062807931 522504714 /nfs/dbraw/zinc/50/47/14/522504714.db2.gz NSNRENOFSPTPFR-GFCCVEGCSA-N 0 0 254.337 2.243 10 30 CEEERN CN[C@](C)(C#N)CCOc1cc(C)c([N+](=O)[O-])cc1C ZINC000062998273 522512219 /nfs/dbraw/zinc/51/22/19/522512219.db2.gz RLACESYKDOHSCZ-AWEZNQCLSA-N 0 0 277.324 2.482 10 30 CEEERN CNc1c(C#N)cnc2cc(OC)c(OC)c(OC)c21 ZINC000050842712 522533706 /nfs/dbraw/zinc/53/37/06/522533706.db2.gz ZBPCCCHSKQLOCK-UHFFFAOYSA-N 0 0 273.292 2.174 10 30 CEEERN CNc1cc(C(=O)N(C)CCC#N)c2ccccc2n1 ZINC000050722493 522547111 /nfs/dbraw/zinc/54/71/11/522547111.db2.gz SZOIZJUQDRBWKT-UHFFFAOYSA-N 0 0 268.320 2.262 10 30 CEEERN CNc1cc(C(=O)N(C)C[C@@H](C)C#N)c([N+](=O)[O-])cc1F ZINC000050775798 522549143 /nfs/dbraw/zinc/54/91/43/522549143.db2.gz KSFVWOZUYLKUQZ-QMMMGPOBSA-N 0 0 294.286 2.007 10 30 CEEERN CN(C[C@@H](O)c1cccc(N)c1)c1ccc(C#N)cc1 ZINC000061949707 523022976 /nfs/dbraw/zinc/02/29/76/523022976.db2.gz SGNIWXPUCQJKLE-MRXNPFEDSA-N 0 0 267.332 2.310 10 30 CEEERN CN(Cc1ccc(C#CCCO)cc1)C(=O)NC(C)(C)C ZINC000049589836 523204196 /nfs/dbraw/zinc/20/41/96/523204196.db2.gz MKOKBMBCCROBCT-UHFFFAOYSA-N 0 0 288.391 2.360 10 30 CEEERN CCn1c(S[C@@H]2C[C@@H](C)CC[C@@H]2C#N)n[nH]c1=O ZINC000061595372 523244995 /nfs/dbraw/zinc/24/49/95/523244995.db2.gz LCNZQQGUQUEUMX-IVZWLZJFSA-N 0 0 266.370 2.012 10 30 CEEERN CC[C@H]1CO[C@H](C)CN1C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614741 523348661 /nfs/dbraw/zinc/34/86/61/523348661.db2.gz PDCASCUPQFLUKQ-SNPRPXQTSA-N 0 0 272.348 2.320 10 30 CEEERN CC[C@H]1CO[C@H](C)CN1Cc1ccc(C#CCO)cc1F ZINC000049614696 523351626 /nfs/dbraw/zinc/35/16/26/523351626.db2.gz NRDJUNMEUOAFHY-CJNGLKHVSA-N 0 0 291.366 2.169 10 30 CEEERN CN(Cc1ccccc1C#CCCO)C(=O)c1ccoc1 ZINC000049589528 523356672 /nfs/dbraw/zinc/35/66/72/523356672.db2.gz WFHMEKWYAJUVAM-UHFFFAOYSA-N 0 0 283.327 2.286 10 30 CEEERN CC[C@@H]1CN(Cc2ccc(C#CCCO)cc2)CCO1 ZINC000049618389 523451974 /nfs/dbraw/zinc/45/19/74/523451974.db2.gz HLRPTMAUVOUTHX-QGZVFWFLSA-N 0 0 273.376 2.031 10 30 CEEERN COc1ccc(C#CCCO)cc1Cn1nc(C)cc1C ZINC000049619097 523512558 /nfs/dbraw/zinc/51/25/58/523512558.db2.gz GNDULXRIAMWIGB-UHFFFAOYSA-N 0 0 284.359 2.291 10 30 CEEERN COc1ccc(C#CCO)cc1CSc1ncccn1 ZINC000049623111 523520515 /nfs/dbraw/zinc/52/05/15/523520515.db2.gz SFGCMNFLIRAMSC-UHFFFAOYSA-N 0 0 286.356 2.121 10 30 CEEERN CCn1nc(C)c(-c2ccc(C#N)c(NC)n2)c1C ZINC000050871439 523619783 /nfs/dbraw/zinc/61/97/83/523619783.db2.gz FQOUGWYXMNMWHY-UHFFFAOYSA-N 0 0 255.325 2.495 10 30 CEEERN COC(=O)[C@@H](Nc1ccc(C#N)cn1)c1ccccc1 ZINC000050506533 523641697 /nfs/dbraw/zinc/64/16/97/523641697.db2.gz OOJQGSISQHLCIX-AWEZNQCLSA-N 0 0 267.288 2.279 10 30 CEEERN CN(c1ccnc(/C(N)=N/O)c1)c1ccccc1F ZINC000061813834 523658272 /nfs/dbraw/zinc/65/82/72/523658272.db2.gz HTHFEFWIXOTMTR-UHFFFAOYSA-N 0 0 260.272 2.083 10 30 CEEERN COC(=O)[C@@H]1CCCN1c1cccc(Cl)c1C#N ZINC000052908353 523695320 /nfs/dbraw/zinc/69/53/20/523695320.db2.gz KMDPGAGGSTVOKP-LBPRGKRZSA-N 0 0 264.712 2.353 10 30 CEEERN CC[C@H](C)C(=O)N(C)Cc1ccc(C#CCO)cc1 ZINC000049588316 523821842 /nfs/dbraw/zinc/82/18/42/523821842.db2.gz YMYHBILAWXCCTP-ZDUSSCGKSA-N 0 0 259.349 2.035 10 30 CEEERN Cc1ccc(C)c(C(=O)[C@@H](C)N(CC#N)CC#N)c1 ZINC000049537492 524089135 /nfs/dbraw/zinc/08/91/35/524089135.db2.gz AOQJYWQMXSGHEW-CYBMUJFWSA-N 0 0 255.321 2.224 10 30 CEEERN C[C@H](CCNc1cnc(C#N)cn1)NC(=O)OC(C)(C)C ZINC000185308810 524199639 /nfs/dbraw/zinc/19/96/39/524199639.db2.gz UQUMGKAUSXZLLT-SNVBAGLBSA-N 0 0 291.355 2.063 10 30 CEEERN C[C@@H]1CCCN(C(=O)c2ccc(C#CCO)s2)[C@H]1C ZINC000050568475 524209572 /nfs/dbraw/zinc/20/95/72/524209572.db2.gz RPIFTAKWMQGTHU-NEPJUHHUSA-N 0 0 277.389 2.353 10 30 CEEERN C[C@@H]1CCC[C@@](CO)(NC(=O)c2ccc(C#N)cc2)C1 ZINC000053104173 524340953 /nfs/dbraw/zinc/34/09/53/524340953.db2.gz NALHOKMAGWQLMH-MLGOLLRUSA-N 0 0 272.348 2.229 10 30 CEEERN C[C@H]1CN(Cc2ccc(F)c(C#CCCO)c2)C[C@H](C)O1 ZINC000049615981 524616995 /nfs/dbraw/zinc/61/69/95/524616995.db2.gz IDTMOZHRFWOZQO-KBPBESRZSA-N 0 0 291.366 2.169 10 30 CEEERN C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc(Cl)cc1C#N ZINC000052859715 524645574 /nfs/dbraw/zinc/64/55/74/524645574.db2.gz UJHWVSITEBCTHI-ZJUUUORDSA-N 0 0 277.755 2.302 10 30 CEEERN COc1ccccc1[C@@H](C#N)C(=O)[C@@H]1CCCOC1 ZINC000062235971 524711338 /nfs/dbraw/zinc/71/13/38/524711338.db2.gz YTCIRTTZOHPPBB-DGCLKSJQSA-N 0 0 259.305 2.298 10 30 CEEERN C[C@H](NC(=O)CC(F)(F)F)c1ccc(C#CCO)cc1 ZINC000049588528 524921417 /nfs/dbraw/zinc/92/14/17/524921417.db2.gz IUCPACCGCZKFTK-JTQLQIEISA-N 0 0 285.265 2.160 10 30 CEEERN Cc1ccccc1C(=O)NCc1cccc(C#CCO)c1 ZINC000049588155 525057387 /nfs/dbraw/zinc/05/73/87/525057387.db2.gz VHTYUPOPLOMYKN-UHFFFAOYSA-N 0 0 279.339 2.269 10 30 CEEERN C[C@@H](NC(=O)CC(F)(F)F)c1cccc(C#CCO)c1 ZINC000049588957 525075521 /nfs/dbraw/zinc/07/55/21/525075521.db2.gz ZEMZACXUGRWVNV-SNVBAGLBSA-N 0 0 285.265 2.160 10 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C[C@H](C/C(N)=N/O)Sc1ccccc1[N+](=O)[O-] ZINC000048258900 526196513 /nfs/dbraw/zinc/19/65/13/526196513.db2.gz BALOGLJASNCWAS-SSDOTTSWSA-N 0 0 255.299 2.212 10 30 CEEERN C[C@H](CC#N)N(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000063086307 526218657 /nfs/dbraw/zinc/21/86/57/526218657.db2.gz XMKKQZASSCMHOR-NEPJUHHUSA-N 0 0 270.336 2.119 10 30 CEEERN C[C@@H](C#N)N1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000069994556 526237749 /nfs/dbraw/zinc/23/77/49/526237749.db2.gz AHDKMNMXCPVKTC-AWEZNQCLSA-N 0 0 287.411 2.028 10 30 CEEERN C[C@H]1CCCN(C(=O)c2ccc(C#CCCO)cn2)[C@H]1C ZINC000061863188 526266635 /nfs/dbraw/zinc/26/66/35/526266635.db2.gz SENFVIUKZLEFLQ-KBPBESRZSA-N 0 0 286.375 2.076 10 30 CEEERN Cc1csc(=O)n1Cc1ccccc1C#CCCO ZINC000049619335 526311947 /nfs/dbraw/zinc/31/19/47/526311947.db2.gz RMDXDVMCZBXHFV-UHFFFAOYSA-N 0 0 273.357 2.000 10 30 CEEERN N#CCCCCOc1ccc(CO)cc1[N+](=O)[O-] ZINC000049578717 526444295 /nfs/dbraw/zinc/44/42/95/526444295.db2.gz KIDUOMWIZQYZGS-UHFFFAOYSA-N 0 0 250.254 2.160 10 30 CEEERN 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180392688 /nfs/dbraw/zinc/39/26/88/180392688.db2.gz VHNCQDSWCVRVEM-JTQLQIEISA-N 0 0 263.293 2.049 10 30 CEEERN N#Cc1cc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1F ZINC000106926061 186151541 /nfs/dbraw/zinc/15/15/41/186151541.db2.gz SWXJDUOILADUKR-TXEJJXNPSA-N 0 0 272.279 2.377 10 30 CEEERN C#CCNCc1nc(-c2ccccc2Br)no1 ZINC000092481384 180395180 /nfs/dbraw/zinc/39/51/80/180395180.db2.gz LFJJTGHLTOCYRS-UHFFFAOYSA-N 0 0 292.136 2.222 10 30 CEEERN CCOc1ccc(C(=O)C(C#N)C#N)cc1OCC ZINC000108253062 186208640 /nfs/dbraw/zinc/20/86/40/186208640.db2.gz ISJVTJAQHXSVBV-UHFFFAOYSA-N 0 0 258.277 2.330 10 30 CEEERN C#CCN(CCC)S(=O)(=O)c1cccc(Cl)c1 ZINC000108919886 186236155 /nfs/dbraw/zinc/23/61/55/186236155.db2.gz ZSNJQDSYUCESTH-UHFFFAOYSA-N 0 0 271.769 2.374 10 30 CEEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(N)c2ccccc2n1 ZINC000109593069 186264647 /nfs/dbraw/zinc/26/46/47/186264647.db2.gz SQESZRMVRWOKRW-NSHDSACASA-N 0 0 282.347 2.439 10 30 CEEERN C[C@@H](C#N)N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000109444939 186252888 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540658272 /nfs/dbraw/zinc/65/82/72/540658272.db2.gz WPPOYRFVLPJAQH-GHMZBOCLSA-N 0 0 251.326 2.224 10 30 CEEERN C#CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC000685959783 540658947 /nfs/dbraw/zinc/65/89/47/540658947.db2.gz UVIKBFREJDFLOU-SNVBAGLBSA-N 0 0 251.326 2.082 10 30 CEEERN CC#CCC(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685962092 540663248 /nfs/dbraw/zinc/66/32/48/540663248.db2.gz UDYVGKFVFUMWTK-WDEREUQCSA-N 0 0 251.326 2.130 10 30 CEEERN N#Cc1ccc(CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000177991529 189084441 /nfs/dbraw/zinc/08/44/41/189084441.db2.gz GTRMIWAJJGBLJT-FUHWJXTLSA-N 0 0 298.386 2.254 10 30 CEEERN c1ccc2c(c1)OC[C@@H](c1nnc(SC[C@@H]3CO3)o1)O2 ZINC000000344085 361164018 /nfs/dbraw/zinc/16/40/18/361164018.db2.gz MKWPTZCBSQEZGU-KWQFWETISA-N 0 0 292.316 2.073 10 30 CEEERN O=C1C=CC(=N/N=C/c2ccc([N+](=O)[O-])cc2)C=C1 ZINC000003178450 361267174 /nfs/dbraw/zinc/26/71/74/361267174.db2.gz LRAWBSVTPYNXHY-NTEUORMPSA-N 0 0 255.233 2.065 10 30 CEEERN N#Cc1ccc(N[C@@H](Cn2cncn2)c2ccccc2)nc1 ZINC000301446211 201011666 /nfs/dbraw/zinc/01/16/66/201011666.db2.gz VPHQEBJMSBUTEW-HNNXBMFYSA-N 0 0 290.330 2.398 10 30 CEEERN CCCC[C@@H](CC(=O)NO)S(=O)(=O)Cc1ccccc1 ZINC000013808904 361441777 /nfs/dbraw/zinc/44/17/77/361441777.db2.gz NWWXLBFKXXOEOP-ZDUSSCGKSA-N 0 0 299.392 2.056 10 30 CEEERN C[C@H]1CN(C(=O)c2cc(C#N)cs2)CCS1 ZINC000084187800 363802095 /nfs/dbraw/zinc/80/20/95/363802095.db2.gz QDSAKZUHEARXLT-QMMMGPOBSA-N 0 0 252.364 2.197 10 30 CEEERN CCOC(=O)[C@H](C#N)Cc1ccc2ccccc2n1 ZINC000098210183 364538132 /nfs/dbraw/zinc/53/81/32/364538132.db2.gz NFLHYWLKGHHYQV-LBPRGKRZSA-N 0 0 254.289 2.480 10 30 CEEERN CCOCCN1CCN(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000120900983 365491953 /nfs/dbraw/zinc/49/19/53/365491953.db2.gz UBQWPYXYRHUGKR-ZDUSSCGKSA-N 0 0 293.436 2.162 10 30 CEEERN CC#CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160079033 366971318 /nfs/dbraw/zinc/97/13/18/366971318.db2.gz SHFCWFUTHQLTNC-CYBMUJFWSA-N 0 0 258.369 2.165 10 30 CEEERN C[C@H](NS(=O)(=O)CCCCC#N)c1cccs1 ZINC000171954637 367648237 /nfs/dbraw/zinc/64/82/37/367648237.db2.gz SDNINJVNIDTJSS-JTQLQIEISA-N 0 0 272.395 2.422 10 30 CEEERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(C#N)cn1 ZINC000172974572 367852062 /nfs/dbraw/zinc/85/20/62/367852062.db2.gz QZERLDWNDWCIRE-CYBMUJFWSA-N 0 0 295.342 2.288 10 30 CEEERN O=C(C#Cc1ccccc1)N1CCO[C@@H](c2nccs2)C1 ZINC000176273037 368218052 /nfs/dbraw/zinc/21/80/52/368218052.db2.gz QPHZUNQAUVJJFT-CQSZACIVSA-N 0 0 298.367 2.095 10 30 CEEERN C=CCC(CC=C)C(=O)N1CCC[C@]1(C)C(=O)OC ZINC000187678208 369201857 /nfs/dbraw/zinc/20/18/57/369201857.db2.gz PHLCTXBMHQLGBG-OAHLLOKOSA-N 0 0 265.353 2.309 10 30 CEEERN N#Cc1ccc(N[C@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000231319284 370477520 /nfs/dbraw/zinc/47/75/20/370477520.db2.gz LSBINMILHAFDKN-AAEUAGOBSA-N 0 0 275.308 2.429 10 30 CEEERN COc1ccc(CNc2ccc([N+](=O)[O-])c(C#N)n2)cc1 ZINC000234945139 370550932 /nfs/dbraw/zinc/55/09/32/370550932.db2.gz GKQQBAVCNJERHR-UHFFFAOYSA-N 0 0 284.275 2.482 10 30 CEEERN CSCCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235042239 370555032 /nfs/dbraw/zinc/55/50/32/370555032.db2.gz YHFBJFFRAKDMGX-UHFFFAOYSA-N 0 0 252.299 2.026 10 30 CEEERN N#Cc1nc(NCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000236113355 370584681 /nfs/dbraw/zinc/58/46/81/370584681.db2.gz HLQYZCXAUSAOLZ-UHFFFAOYSA-N 0 0 260.175 2.226 10 30 CEEERN COC(=O)C(C#N)=NC1=C(N2CCCC2)c2ccccc2C1 ZINC000252623451 371459247 /nfs/dbraw/zinc/45/92/47/371459247.db2.gz ORTUMBMOLDOGRI-UHFFFAOYSA-N 0 0 295.342 2.145 10 30 CEEERN C=CC1CCN(c2cncc(SCC(=O)OC)n2)CC1 ZINC000302224670 379335315 /nfs/dbraw/zinc/33/53/15/379335315.db2.gz OEYJFOLAGDKYQS-UHFFFAOYSA-N 0 0 293.392 2.144 10 30 CEEERN Cc1ccc(N2CCC(c3cc[nH]n3)CC2)nc1C#N ZINC000302679283 379421224 /nfs/dbraw/zinc/42/12/24/379421224.db2.gz VYTVNFCCCFXCEJ-UHFFFAOYSA-N 0 0 267.336 2.369 10 30 CEEERN COCCn1nc(C)c(CNc2ccc(C)c(C#N)n2)c1C ZINC000302684460 379423150 /nfs/dbraw/zinc/42/31/50/379423150.db2.gz XWSNLVDNACQXGL-UHFFFAOYSA-N 0 0 299.378 2.334 10 30 CEEERN CN(CCOc1ccccc1)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302684730 379423574 /nfs/dbraw/zinc/42/35/74/379423574.db2.gz ATPXQHIYHIIEML-UHFFFAOYSA-N 0 0 298.302 2.377 10 30 CEEERN C=C(COC(C)C)C(=O)CNC(=O)OCc1ccccc1 ZINC000405975412 542279531 /nfs/dbraw/zinc/27/95/31/542279531.db2.gz KVIMVPDFTVRBNL-UHFFFAOYSA-N 0 0 291.347 2.463 10 30 CEEERN C#CCCCC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000192163766 533007117 /nfs/dbraw/zinc/00/71/17/533007117.db2.gz GLIPHSOVYLWEEV-KBPBESRZSA-N 0 0 275.348 2.498 10 30 CEEERN O=C(c1ccccc1)N1CC[C@H]2CC(=O)C=C[C@H]2C1 ZINC000100018325 542369353 /nfs/dbraw/zinc/36/93/53/542369353.db2.gz KIGUODXTRRRCCD-KBPBESRZSA-N 0 0 255.317 2.294 10 30 CEEERN C=CCNC(=O)[C@@H](C)Sc1cc(OCC)ccc1N ZINC000093424359 184673631 /nfs/dbraw/zinc/67/36/31/184673631.db2.gz NKURWVNUMLEGQR-SNVBAGLBSA-N 0 0 280.393 2.450 10 30 CEEERN CCS(=O)(=O)Nc1ccc(C#N)cc1Br ZINC000081569633 177820447 /nfs/dbraw/zinc/82/04/47/177820447.db2.gz GYYOBDIYJGVKOL-UHFFFAOYSA-N 0 0 289.154 2.082 10 30 CEEERN CC(C)[C@H](C)CNC(=O)c1ccc(C#CCO)cc1 ZINC000081109197 177771117 /nfs/dbraw/zinc/77/11/17/177771117.db2.gz UTUZJQJKDYDVSF-CYBMUJFWSA-N 0 0 259.349 2.052 10 30 CEEERN Cc1cnc(CNC[C@H](C#N)c2ccccc2)cn1 ZINC000080785737 177706595 /nfs/dbraw/zinc/70/65/95/177706595.db2.gz LERMHNBSQVLYPV-AWEZNQCLSA-N 0 0 252.321 2.182 10 30 CEEERN Cc1ccnc(S[C@@H]2CC[C@](C#N)(NC3CC3)C2)n1 ZINC000093806783 184723834 /nfs/dbraw/zinc/72/38/34/184723834.db2.gz BEAGFZRFUCVDGH-OCCSQVGLSA-N 0 0 274.393 2.444 10 30 CEEERN Cc1cc(C)c(C(=O)CN2CCO[C@@H](C#N)C2)cc1C ZINC000093933327 184744857 /nfs/dbraw/zinc/74/48/57/184744857.db2.gz QAHIYKDOJVKNGP-AWEZNQCLSA-N 0 0 272.348 2.019 10 30 CEEERN N#CCc1ccc(NC(=O)c2csc(C#CCO)c2)cc1 ZINC000093974922 184747099 /nfs/dbraw/zinc/74/70/99/184747099.db2.gz OSNYXOAPEQKNPC-UHFFFAOYSA-N 0 0 296.351 2.410 10 30 CEEERN N#Cc1ccc(NC[C@H](O)c2ccccc2)cc1N ZINC000094590326 184822007 /nfs/dbraw/zinc/82/20/07/184822007.db2.gz NEOZUFSTLZYVBL-HNNXBMFYSA-N 0 0 253.305 2.286 10 30 CEEERN O=C(C[C@@H]1CCCCO1)Nc1ccc(F)cc1C#CCO ZINC000095032718 184919125 /nfs/dbraw/zinc/91/91/25/184919125.db2.gz JTGKZNXMVUWKAW-AWEZNQCLSA-N 0 0 291.322 2.067 10 30 CEEERN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000191229551 533345266 /nfs/dbraw/zinc/34/52/66/533345266.db2.gz PJHUHIZGIOLHJH-IUODEOHRSA-N 0 0 257.333 2.446 10 30 CEEERN C=CCS(=O)(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000263999242 131376393 /nfs/dbraw/zinc/37/63/93/131376393.db2.gz ZBISYNQHZYPBII-UHFFFAOYSA-N 0 0 289.784 2.166 10 30 CEEERN C[C@@H]1Oc2cc(N)ccc2N(CCC(C)(C)C#N)C1=O ZINC000087592167 135050981 /nfs/dbraw/zinc/05/09/81/135050981.db2.gz VFKWDHNPMIIVRV-JTQLQIEISA-N 0 0 273.336 2.323 10 30 CEEERN CS[C@@H](CO)[C@H](C)Nc1cc(C)nc(C)c1C#N ZINC000219764587 394461369 /nfs/dbraw/zinc/46/13/69/394461369.db2.gz FZNIREZYTZHWLU-GWCFXTLKSA-N 0 0 265.382 2.094 10 30 CEEERN Cc1cc(N2CC[C@@]3(CCOC3)C2)c(C#N)c(C)n1 ZINC000301753849 394464303 /nfs/dbraw/zinc/46/43/03/394464303.db2.gz CFCDBQGJYQIFNJ-OAHLLOKOSA-N 0 0 257.337 2.187 10 30 CEEERN C=CCO[C@H]1CCN(c2nc(C(C)C)ns2)C1 ZINC000302115964 394472365 /nfs/dbraw/zinc/47/23/65/394472365.db2.gz BZGXGJFBYBHUGN-JTQLQIEISA-N 0 0 253.371 2.443 10 30 CEEERN Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061889769 394569058 /nfs/dbraw/zinc/56/90/58/394569058.db2.gz HEDBMAHCEQXYKC-CMPLNLGQSA-N 0 0 282.340 2.105 10 30 CEEERN C#CCONC(=O)c1c(C)cccc1Br ZINC000306658653 394517172 /nfs/dbraw/zinc/51/71/72/394517172.db2.gz JANUTASJDUHZEW-UHFFFAOYSA-N 0 0 268.110 2.052 10 30 CEEERN CCN(CC)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000048724958 394524950 /nfs/dbraw/zinc/52/49/50/394524950.db2.gz GBUWXDWFQNXRNP-UHFFFAOYSA-N 0 0 279.727 2.019 10 30 CEEERN N#Cc1n[nH]c2cc(I)ccc12 ZINC000089195952 394647074 /nfs/dbraw/zinc/64/70/74/394647074.db2.gz QTDNWMNTBCJGOM-UHFFFAOYSA-N 0 0 269.045 2.039 10 30 CEEERN CCOc1ccc(CC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000359678403 394771489 /nfs/dbraw/zinc/77/14/89/394771489.db2.gz NPESYKUBXGRKLV-DZGCQCFKSA-N 0 0 272.348 2.436 10 30 CEEERN C=CCOc1ccccc1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC000154018167 395020146 /nfs/dbraw/zinc/02/01/46/395020146.db2.gz CVKTWSJGWCWTFP-IUODEOHRSA-N 0 0 275.348 2.435 10 30 CEEERN N#Cc1c(F)cccc1N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398930752 395240780 /nfs/dbraw/zinc/24/07/80/395240780.db2.gz OMWMWWVQGUEEPB-SRVKXCTJSA-N 0 0 260.312 2.295 10 30 CEEERN COc1ccc([C@@H](C)NC(=O)NC[C@H](C)C#N)cc1OC ZINC000182586906 395245308 /nfs/dbraw/zinc/24/53/08/395245308.db2.gz JGMKNSSKBGUHOZ-GHMZBOCLSA-N 0 0 291.351 2.224 10 30 CEEERN Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000186253548 395289059 /nfs/dbraw/zinc/28/90/59/395289059.db2.gz IFCBUVYSXAREGP-CRAIPNDOSA-N 0 0 299.418 2.019 10 30 CEEERN COC(=O)Cc1cc(OC)cc(C(F)F)c1C#N ZINC000575343616 395660066 /nfs/dbraw/zinc/66/00/66/395660066.db2.gz QMSJMNSVPDSBKX-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN COC(=O)Cc1cc(C#N)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575344214 395660395 /nfs/dbraw/zinc/66/03/95/395660395.db2.gz VSAAULZEZDEPSK-UHFFFAOYSA-N 0 0 270.191 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172627008 /nfs/dbraw/zinc/62/70/08/172627008.db2.gz OBGKFZGAXUKVGX-JTQLQIEISA-N 0 0 283.303 2.138 10 30 CEEERN C[C@H](CSc1nc2ccccc2[nH]1)/C(N)=N/O ZINC000036681132 172651958 /nfs/dbraw/zinc/65/19/58/172651958.db2.gz BNGXXRARDHINHR-SSDOTTSWSA-N 0 0 250.327 2.038 10 30 CEEERN CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(N)cc1 ZINC000037182204 173014264 /nfs/dbraw/zinc/01/42/64/173014264.db2.gz RRGYXJNUGDLMMY-CQSZACIVSA-N 0 0 277.393 2.415 10 30 CEEERN O=C(Nc1ncc(C#CCCO)s1)c1ccsc1 ZINC000037549709 173267994 /nfs/dbraw/zinc/26/79/94/173267994.db2.gz LSELQUMJJSNPMW-UHFFFAOYSA-N 0 0 278.358 2.191 10 30 CEEERN CC(C)[C@@H](C)NC(=O)c1ccccc1C#CCCO ZINC000037568050 173517617 /nfs/dbraw/zinc/51/76/17/173517617.db2.gz HUVWALDHOKLTOY-CYBMUJFWSA-N 0 0 259.349 2.195 10 30 CEEERN N#Cc1cc(N)cnc1Nc1ccc2c(c1)OCO2 ZINC000037758927 173683638 /nfs/dbraw/zinc/68/36/38/173683638.db2.gz WYYNRGFJXUOYQR-UHFFFAOYSA-N 0 0 254.249 2.008 10 30 CEEERN N#C[C@]1(N2CCCCCC2)COc2cc(O)ccc21 ZINC000038086144 174096836 /nfs/dbraw/zinc/09/68/36/174096836.db2.gz GYSBHRAZZCKWEE-HNNXBMFYSA-N 0 0 258.321 2.379 10 30 CEEERN CC(C)(C)CNC(=O)c1ccc(F)cc1C#CCCO ZINC000040495131 174293726 /nfs/dbraw/zinc/29/37/26/174293726.db2.gz SUJHTFWYNQUZCK-UHFFFAOYSA-N 0 0 277.339 2.336 10 30 CEEERN C=CCN1C(=S)N=NC1c1cnn(C(F)F)c1 ZINC000040544343 174324386 /nfs/dbraw/zinc/32/43/86/174324386.db2.gz MUFGYSBPKJEXGD-UHFFFAOYSA-N 0 0 257.269 2.011 10 30 CEEERN C=CCNc1ncnc(Nc2ccc(NC(C)=O)cc2)c1N ZINC000040709111 174380615 /nfs/dbraw/zinc/38/06/15/174380615.db2.gz QNJFMYOYBUFGEW-UHFFFAOYSA-N 0 0 298.350 2.359 10 30 CEEERN Cc1ccc([C@H](C#N)N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000041258555 174511577 /nfs/dbraw/zinc/51/15/77/174511577.db2.gz BTKZTHQUDCYAIA-INIZCTEOSA-N 0 0 285.391 2.360 10 30 CEEERN CC(C)CCN(C)C(=O)c1ccc(C#CCO)s1 ZINC000042458157 174749448 /nfs/dbraw/zinc/74/94/48/174749448.db2.gz DTUCXWQAWCCKPT-UHFFFAOYSA-N 0 0 265.378 2.210 10 30 CEEERN C[C@H](N(C)c1ccc(/C(N)=N/O)cn1)C(C)(C)C ZINC000042766498 174869669 /nfs/dbraw/zinc/86/96/69/174869669.db2.gz JHAXMKBRAXSQKY-VIFPVBQESA-N 0 0 250.346 2.047 10 30 CEEERN Cc1ccc(/C(N)=N/O)c(Oc2ccc(F)cc2)n1 ZINC000043400278 175036796 /nfs/dbraw/zinc/03/67/96/175036796.db2.gz NIRRWTNWHWTOMW-UHFFFAOYSA-N 0 0 261.256 2.416 10 30 CEEERN CC[C@@H]1CN(C(=O)C2(C#N)CCCCCC2)CCO1 ZINC000044765790 175248917 /nfs/dbraw/zinc/24/89/17/175248917.db2.gz CUADCTVYGDAVAK-CYBMUJFWSA-N 0 0 264.369 2.488 10 30 CEEERN N#CC1(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000044765925 175248945 /nfs/dbraw/zinc/24/89/45/175248945.db2.gz DRGNIERRKAAFRS-ZIAGYGMSSA-N 0 0 276.380 2.345 10 30 CEEERN CCOC(=O)[C@H]1CCCCN1C(=O)C1(C#N)CCCC1 ZINC000044765948 175249007 /nfs/dbraw/zinc/24/90/07/175249007.db2.gz VVSFTHIJTNVHLB-GFCCVEGCSA-N 0 0 278.352 2.015 10 30 CEEERN CCOC(=O)CN(C(=O)C1(C#N)CCCCCC1)C1CC1 ZINC000044767206 175249677 /nfs/dbraw/zinc/24/96/77/175249677.db2.gz CIMDWMFXQBSPKW-UHFFFAOYSA-N 0 0 292.379 2.405 10 30 CEEERN CCC(C#N)(CC)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000044767324 175250054 /nfs/dbraw/zinc/25/00/54/175250054.db2.gz YXVQSZKJPGDBIE-NEPJUHHUSA-N 0 0 250.342 2.096 10 30 CEEERN CCCN(CC(=O)N(C)C)C(=O)C(C#N)(CCC)CCC ZINC000044826334 175259862 /nfs/dbraw/zinc/25/98/62/175259862.db2.gz CDUJRSZQCCBEEH-UHFFFAOYSA-N 0 0 295.427 2.423 10 30 CEEERN CC[C@@H](C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000044827906 175259919 /nfs/dbraw/zinc/25/99/19/175259919.db2.gz FNPWNDUKTFULFF-ZETCQYMHSA-N 0 0 251.217 2.222 10 30 CEEERN N#Cc1cc(N)ccc1NCCCCn1ccnc1 ZINC000045105754 175307777 /nfs/dbraw/zinc/30/77/77/175307777.db2.gz QULDVBHJISDLMZ-UHFFFAOYSA-N 0 0 255.325 2.229 10 30 CEEERN CC1(C)C[C@H]1NC(=O)c1ccc(F)cc1C#CCCO ZINC000045140893 175315486 /nfs/dbraw/zinc/31/54/86/175315486.db2.gz CORAVSVAUWGPCV-CQSZACIVSA-N 0 0 275.323 2.088 10 30 CEEERN C[C@H](C#N)N(C)CC(=O)Nc1cccc(Cl)c1 ZINC000045143866 175316341 /nfs/dbraw/zinc/31/63/41/175316341.db2.gz IAKRTLYONYCVAL-SECBINFHSA-N 0 0 251.717 2.122 10 30 CEEERN C=CCN(CC=C)S(=O)(=O)c1c(N)cccc1Cl ZINC000045166333 175318763 /nfs/dbraw/zinc/31/87/63/175318763.db2.gz LTCAKAIFMBNMBG-UHFFFAOYSA-N 0 0 286.784 2.285 10 30 CEEERN CCCN(C)C[C@@](C#N)(NC1CC1)c1ccccc1 ZINC000045179981 175324424 /nfs/dbraw/zinc/32/44/24/175324424.db2.gz OTLPVIJOVNVPLE-MRXNPFEDSA-N 0 0 257.381 2.499 10 30 CEEERN CN[C@](C#N)(CN(C)C[C@@H]1CCCCO1)c1ccccc1 ZINC000045181871 175324778 /nfs/dbraw/zinc/32/47/78/175324778.db2.gz ANUKXPSVKPXRDE-DLBZAZTESA-N 0 0 287.407 2.126 10 30 CEEERN CCN[C@@](C#N)(CN(CCOC)C1CC1)c1ccccc1 ZINC000045182433 175325460 /nfs/dbraw/zinc/32/54/60/175325460.db2.gz ANIPUTTWOVPGKX-KRWDZBQOSA-N 0 0 287.407 2.126 10 30 CEEERN CN[C@@](C)(C#N)COc1ccc([N+](=O)[O-])cc1Cl ZINC000045214295 175329219 /nfs/dbraw/zinc/32/92/19/175329219.db2.gz ADUUCRLFEMBQGT-NSHDSACASA-N 0 0 269.688 2.129 10 30 CEEERN CN[C@@](C)(C#N)COc1c(F)c(F)c(F)c(F)c1F ZINC000045213710 175329265 /nfs/dbraw/zinc/32/92/65/175329265.db2.gz QWFBKROIAZLJHM-NSHDSACASA-N 0 0 280.196 2.263 10 30 CEEERN COc1ccc(OC[C@@](N)(C#N)c2ccccc2)cc1 ZINC000045212365 175329275 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CEEERN CCOC(=O)C1(C=O)CC(OCc2cccc(C)c2)C1 ZINC000606302535 347464759 /nfs/dbraw/zinc/46/47/59/347464759.db2.gz OQVGQWIIEZLDHW-UHFFFAOYSA-N 0 0 276.332 2.422 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCOc1cccc(F)c1 ZINC000610498337 347686767 /nfs/dbraw/zinc/68/67/67/347686767.db2.gz VKRVPMQMUOUJQD-RISCZKNCSA-N 0 0 276.311 2.403 10 30 CEEERN COc1cccc([C@H](O)CN(CCC#N)C(C)C)c1 ZINC000086507352 179303416 /nfs/dbraw/zinc/30/34/16/179303416.db2.gz PPDMXYBXYJFFRO-OAHLLOKOSA-N 0 0 262.353 2.353 10 30 CEEERN CCN[C@]1(C#N)CC[C@@H](Sc2nncs2)C1 ZINC000086624246 179312421 /nfs/dbraw/zinc/31/24/21/179312421.db2.gz MIFPLZSMTUACTF-PSASIEDQSA-N 0 0 254.384 2.055 10 30 CEEERN Cc1c(F)cc(C#N)cc1N[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000086673881 179318843 /nfs/dbraw/zinc/31/88/43/179318843.db2.gz ITTABTUEYHJMQE-TZMCWYRMSA-N 0 0 296.367 2.383 10 30 CEEERN Cc1ccc(N[C@@]2(C#N)CCC[C@H]2S(C)(=O)=O)cc1 ZINC000086677412 179319176 /nfs/dbraw/zinc/31/91/76/179319176.db2.gz MHXNVKSYOHOYBE-ZIAGYGMSSA-N 0 0 278.377 2.266 10 30 CEEERN CS(=O)(=O)[C@@H]1CCC[C@@]1(C#N)Nc1ccc(F)cc1 ZINC000086677413 179319263 /nfs/dbraw/zinc/31/92/63/179319263.db2.gz QKEFLHQDXWYWNW-OLZOCXBDSA-N 0 0 282.340 2.097 10 30 CEEERN CS(=O)(=O)[C@H]1CCC[C@H]1Nc1ccc(F)c(C#N)c1 ZINC000086675835 179319339 /nfs/dbraw/zinc/31/93/39/179319339.db2.gz FWHRIXOVWWIICB-OLZOCXBDSA-N 0 0 282.340 2.075 10 30 CEEERN C[C@@H]1CCC[C@@](O)(CNc2ccc(N)cc2C#N)C1 ZINC000087047196 179388148 /nfs/dbraw/zinc/38/81/48/179388148.db2.gz YJHWLZXLPXNVCK-ABAIWWIYSA-N 0 0 259.353 2.494 10 30 CEEERN COC(=O)c1cnc(C)n1CC#Cc1ccccc1 ZINC000087320149 179411711 /nfs/dbraw/zinc/41/17/11/179411711.db2.gz OJHKWVYJDFSOJV-UHFFFAOYSA-N 0 0 254.289 2.030 10 30 CEEERN N#Cc1cccc(-n2ncc(Br)c2N)c1 ZINC000087418729 179423316 /nfs/dbraw/zinc/42/33/16/179423316.db2.gz YKYFWADJCSTEPR-UHFFFAOYSA-N 0 0 263.098 2.089 10 30 CEEERN CCC1CCC(C#N)(NC(=O)c2snnc2C)CC1 ZINC000087428283 179425291 /nfs/dbraw/zinc/42/52/91/179425291.db2.gz DRLHOTBUVHYIML-UHFFFAOYSA-N 0 0 278.381 2.439 10 30 CEEERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C#CCCO)c(F)c1 ZINC000088082535 179545992 /nfs/dbraw/zinc/54/59/92/179545992.db2.gz JRBBWNZKIJHGNY-ZWNOBZJWSA-N 0 0 261.296 2.154 10 30 CEEERN C=CCNC(=O)[C@@H](C)Oc1c(C)cc(C#N)cc1C ZINC000088154938 179558293 /nfs/dbraw/zinc/55/82/93/179558293.db2.gz YMCMCEFQZVCYLB-GFCCVEGCSA-N 0 0 258.321 2.245 10 30 CEEERN N#C[C@]1([C@H]2CCS(=O)(=O)C2)CCc2ccccc2C1 ZINC000087998202 179534487 /nfs/dbraw/zinc/53/44/87/179534487.db2.gz GXDSKDJGJOSSEC-GJZGRUSLSA-N 0 0 275.373 2.120 10 30 CEEERN CN[C@](C#N)(CN1CCC(C(F)(F)F)CC1)C1CC1 ZINC000088434583 179601060 /nfs/dbraw/zinc/60/10/60/179601060.db2.gz LTNRCTBRFCCVNU-GFCCVEGCSA-N 0 0 275.318 2.152 10 30 CEEERN CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(N)cc1C#N ZINC000088292954 179575814 /nfs/dbraw/zinc/57/58/14/179575814.db2.gz QNDZYPLNARQOSJ-GHMZBOCLSA-N 0 0 295.408 2.243 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)N1CCC[C@@H](CC)CC1 ZINC000088486236 179612363 /nfs/dbraw/zinc/61/23/63/179612363.db2.gz VBXWAULJVGVBCD-NEPJUHHUSA-N 0 0 258.387 2.130 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CC/N=C1/SCC(=O)N1Cc1ccc(OC)cc1 ZINC000104922632 186031813 /nfs/dbraw/zinc/03/18/13/186031813.db2.gz WLXMEAHMMRPUNU-BUHFOSPRSA-N 0 0 264.350 2.147 10 30 CEEERN C[C@@H]1CCN(C(=O)c2ccncc2C#CCCO)[C@H](C)C1 ZINC000091459158 180160691 /nfs/dbraw/zinc/16/06/91/180160691.db2.gz IQXPJJPBUNTKPU-ZIAGYGMSSA-N 0 0 286.375 2.076 10 30 CEEERN C[C@@H]1CCC[C@H](NC(=O)c2ccncc2C#CCCO)C1 ZINC000091457852 180160929 /nfs/dbraw/zinc/16/09/29/180160929.db2.gz CELUFRLBGVYNEY-HIFRSBDPSA-N 0 0 286.375 2.124 10 30 CEEERN Cc1ccc(NC(=O)c2ccncc2C#CCO)c(F)c1 ZINC000091458136 180160953 /nfs/dbraw/zinc/16/09/53/180160953.db2.gz LKWZYGIYOARSGY-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN C[C@@H](N(C)C(=O)c1ccncc1C#CCCO)C(C)(C)C ZINC000091458835 180161136 /nfs/dbraw/zinc/16/11/36/180161136.db2.gz ZGGVRECIKUGUQR-CYBMUJFWSA-N 0 0 288.391 2.322 10 30 CEEERN CSC1(C#N)CCN(C(=O)[C@@H]2CCCS2)CC1 ZINC000091475952 180166273 /nfs/dbraw/zinc/16/62/73/180166273.db2.gz OOTAUISIOAABMM-JTQLQIEISA-N 0 0 270.423 2.130 10 30 CEEERN CCn1nc(C)c(N)c1NCc1ccc(C#N)cc1 ZINC000091558236 180191000 /nfs/dbraw/zinc/19/10/00/180191000.db2.gz VLOZNZPHLYAVNU-UHFFFAOYSA-N 0 0 255.325 2.277 10 30 CEEERN CCOC(=O)C[C@H](C#N)Nc1cc(C)cc(F)c1 ZINC000091512072 180176903 /nfs/dbraw/zinc/17/69/03/180176903.db2.gz VWOCFYYVZPFNFS-GFCCVEGCSA-N 0 0 250.273 2.391 10 30 CEEERN N#Cc1nc(-c2ccccc2OC(F)F)oc1N ZINC000091547002 180187536 /nfs/dbraw/zinc/18/75/36/180187536.db2.gz LLPNFDOHNYXHCQ-UHFFFAOYSA-N 0 0 251.192 2.397 10 30 CEEERN N#C[C@H]1CNCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000091750128 180246293 /nfs/dbraw/zinc/24/62/93/180246293.db2.gz NBJWPWSAAVZOFR-VIFPVBQESA-N 0 0 298.268 2.035 10 30 CEEERN N#C[C@@H]1CNCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000091750129 180246344 /nfs/dbraw/zinc/24/63/44/180246344.db2.gz NBJWPWSAAVZOFR-SECBINFHSA-N 0 0 298.268 2.035 10 30 CEEERN N#C[C@@H]1CNCCN1Cc1csc(-c2ccsc2)n1 ZINC000091748454 180245368 /nfs/dbraw/zinc/24/53/68/180245368.db2.gz ALVGANZROOKDSA-GFCCVEGCSA-N 0 0 290.417 2.169 10 30 CEEERN C=CCCCOc1nc(Cl)nc(N2CCCC2)n1 ZINC000091841325 180269276 /nfs/dbraw/zinc/26/92/76/180269276.db2.gz XAXYDRXJJPUGQH-UHFFFAOYSA-N 0 0 268.748 2.470 10 30 CEEERN C=CCNC(=O)[C@H](C)Sc1ccc(N)c(F)c1 ZINC000091942805 180290107 /nfs/dbraw/zinc/29/01/07/180290107.db2.gz CPVXKXKEKVEQPL-QMMMGPOBSA-N 0 0 254.330 2.191 10 30 CEEERN COCC[C@](C)(O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000091878523 180278870 /nfs/dbraw/zinc/27/88/70/180278870.db2.gz DYAAIZFEKNOVHD-HOTGVXAUSA-N 0 0 259.349 2.473 10 30 CEEERN N#C[C@@]1([C@H](O)c2ccco2)COc2ccccc2C1 ZINC000091880487 180279337 /nfs/dbraw/zinc/27/93/37/180279337.db2.gz FIYBRLDIAJBOFJ-HUUCEWRRSA-N 0 0 255.273 2.458 10 30 CEEERN COc1cc(OC)cc([C@@H](O)C2(C#N)CCOCC2)c1 ZINC000091882727 180279366 /nfs/dbraw/zinc/27/93/66/180279366.db2.gz WUPVXLBEJYIGLU-CQSZACIVSA-N 0 0 277.320 2.058 10 30 CEEERN COc1cc(OC)c([C@@H](O)C(C)(C)C#N)c(OC)c1 ZINC000091880070 180279386 /nfs/dbraw/zinc/27/93/86/180279386.db2.gz MWXVOBHCLUZCBQ-CYBMUJFWSA-N 0 0 265.309 2.296 10 30 CEEERN 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/nfs/dbraw/zinc/27/23/48/542272348.db2.gz JXZSXUVOFJPTCF-QWRGUYRKSA-N 0 0 251.326 2.082 10 30 CEEERN C#CCC(=O)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000405645879 542273008 /nfs/dbraw/zinc/27/30/08/542273008.db2.gz QOQIWHJQAKLROA-CQSZACIVSA-N 0 0 251.326 2.272 10 30 CEEERN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)CC1CC1 ZINC000405917721 542277842 /nfs/dbraw/zinc/27/78/42/542277842.db2.gz OSAZCLZQKMQQPD-NSHDSACASA-N 0 0 251.326 2.272 10 30 CEEERN OCCC#Cc1cc(CSC2COC2)ccc1F ZINC000092712058 184622237 /nfs/dbraw/zinc/62/22/37/184622237.db2.gz UPPSIAQEOCHBBB-UHFFFAOYSA-N 0 0 266.337 2.192 10 30 CEEERN Cn1ncc(C#N)c1NC(=O)[C@H]1CCCc2ccccc21 ZINC000093334918 184665766 /nfs/dbraw/zinc/66/57/66/184665766.db2.gz DNGFPECJNJKDQF-AWEZNQCLSA-N 0 0 280.331 2.350 10 30 CEEERN N#C[C@H]1CCCC[C@@H]1N1CCn2c(nnc2C(F)(F)F)C1 ZINC000081535396 177810901 /nfs/dbraw/zinc/81/09/01/177810901.db2.gz ORXRGSJMHNKUTJ-ZJUUUORDSA-N 0 0 299.300 2.195 10 30 CEEERN N#C[C@H](CN1C(=O)CCCCC1=O)c1ccccc1 ZINC000080800121 177709311 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/nfs/dbraw/zinc/75/50/31/184755031.db2.gz BGADWSKINWPKLN-LBPRGKRZSA-N 0 0 251.293 2.030 10 30 CEEERN Cc1cc(=O)cc(C)n1-c1cccc(OCC#N)c1 ZINC000094350724 184787046 /nfs/dbraw/zinc/78/70/46/184787046.db2.gz PEVDMVBPUXNGBI-UHFFFAOYSA-N 0 0 254.289 2.357 10 30 CEEERN C=CCN1C(=O)[C@H]2CCCCN2C(=O)[C@H]1c1ccccc1 ZINC000094436437 184798098 /nfs/dbraw/zinc/79/80/98/184798098.db2.gz VPXCVDZNKJYKDS-HUUCEWRRSA-N 0 0 284.359 2.137 10 30 CEEERN CC(C)Oc1ncnc(N(C)c2cccc(C#N)c2)c1N ZINC000094734651 184848775 /nfs/dbraw/zinc/84/87/75/184848775.db2.gz WNPDDCNPYUOUMG-UHFFFAOYSA-N 0 0 283.335 2.486 10 30 CEEERN Cc1cc(C(=O)NCCC(F)(F)F)sc1C#CCO ZINC000094535329 184814298 /nfs/dbraw/zinc/81/42/98/184814298.db2.gz PYBGCTUZMHWGJN-UHFFFAOYSA-N 0 0 291.294 2.083 10 30 CEEERN N#Cc1ccc(N(CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000094593038 184823432 /nfs/dbraw/zinc/82/34/32/184823432.db2.gz LQEVRLDSHIILJR-UHFFFAOYSA-N 0 0 275.308 2.208 10 30 CEEERN OCC#Cc1cc(F)ccc1OCc1cccc(O)c1 ZINC000094687093 184840070 /nfs/dbraw/zinc/84/00/70/184840070.db2.gz LUWULIIDLKUGOD-UHFFFAOYSA-N 0 0 272.275 2.454 10 30 CEEERN COC(=O)[C@H]1CN(C(=O)C2(C#N)CCCCCC2)C[C@@H]1C ZINC000095017827 184916514 /nfs/dbraw/zinc/91/65/14/184916514.db2.gz BVYYKMMSAHUQGB-STQMWFEESA-N 0 0 292.379 2.118 10 30 CEEERN COc1cccc(CCNC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)n1 ZINC000329671623 533448300 /nfs/dbraw/zinc/44/83/00/533448300.db2.gz NGWWQWAPLBOVIL-QWRGUYRKSA-N 0 0 291.351 2.344 10 30 CEEERN C=CCC[C@@H](C(=O)N1CC(NC(C)=O)C1)c1ccccc1 ZINC000190502786 130111819 /nfs/dbraw/zinc/11/18/19/130111819.db2.gz HWBVDBHTFZJDPG-MRXNPFEDSA-N 0 0 286.375 2.083 10 30 CEEERN N#C[C@@H]1CN(c2cc(F)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000093932970 135082874 /nfs/dbraw/zinc/08/28/74/135082874.db2.gz DUMIARYQFSQMDX-SSDOTTSWSA-N 0 0 285.662 2.116 10 30 CEEERN C=C(C(=O)OC)[C@H](O)c1cc([N+](=O)[O-])ccc1Cl ZINC000019835560 394471467 /nfs/dbraw/zinc/47/14/67/394471467.db2.gz JWNAXKGPQQGAOX-JTQLQIEISA-N 0 0 271.656 2.011 10 30 CEEERN C=CCO[C@@H]1CCN(c2cc(Cl)nc(C)n2)C1 ZINC000302137068 394473345 /nfs/dbraw/zinc/47/33/45/394473345.db2.gz IECPQIWNCZDXEK-SNVBAGLBSA-N 0 0 253.733 2.220 10 30 CEEERN N#C[C@]1(c2ccncc2Br)CCOC1 ZINC000306778881 394518033 /nfs/dbraw/zinc/51/80/33/394518033.db2.gz PMEVJOBYMOUUNJ-SNVBAGLBSA-N 0 0 253.099 2.026 10 30 CEEERN CCc1ccc([C@@H](C)NC(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000106328409 394724479 /nfs/dbraw/zinc/72/44/79/394724479.db2.gz VILWDGKKOSQXAR-IUODEOHRSA-N 0 0 287.363 2.244 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCOc1ccccc1F ZINC000360337669 394797503 /nfs/dbraw/zinc/79/75/03/394797503.db2.gz MUFOQCINALAFQQ-WCQYABFASA-N 0 0 276.311 2.403 10 30 CEEERN CC#CCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000135002709 394961546 /nfs/dbraw/zinc/96/15/46/394961546.db2.gz HEVRZNWBUXLNDE-VHSXEESVSA-N 0 0 262.275 2.430 10 30 CEEERN C=CCNc1ncc(C(=O)N[C@@H](C)[C@H]2CCCO2)s1 ZINC000136138515 394969167 /nfs/dbraw/zinc/96/91/67/394969167.db2.gz VUIBRRBSUOVMLY-VHSXEESVSA-N 0 0 281.381 2.038 10 30 CEEERN O=C(NC1CCC1)c1ccc(C#CC2(O)CCCC2)cn1 ZINC000205278189 395472923 /nfs/dbraw/zinc/47/29/23/395472923.db2.gz RVGHBRWYSBZOBN-UHFFFAOYSA-N 0 0 284.359 2.021 10 30 CEEERN CCOC(=O)Cc1cc(C#N)cc(Br)c1C=O ZINC000575341643 395660178 /nfs/dbraw/zinc/66/01/78/395660178.db2.gz BQRHIWOAXSCDKG-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN CCOC(=O)Cc1c(Br)cc(C#N)cc1C=O ZINC000575341658 395660191 /nfs/dbraw/zinc/66/01/91/395660191.db2.gz YCDOGZMRDBTPJQ-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN COC(=O)Cc1cccc(C#N)c1OC(F)(F)F ZINC000575344937 395660367 /nfs/dbraw/zinc/66/03/67/395660367.db2.gz KKIIKRWQVQJLIT-UHFFFAOYSA-N 0 0 259.183 2.172 10 30 CEEERN COC(=O)Cc1cc(F)c(C(F)(F)F)c(C#N)c1 ZINC000575344835 395660388 /nfs/dbraw/zinc/66/03/88/395660388.db2.gz ADFZUUPVBNJDTQ-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN CCOC(=O)Cc1c(Cl)c(C#N)ccc1OC ZINC000575382798 395662379 /nfs/dbraw/zinc/66/23/79/395662379.db2.gz RRRSAQQCDQVQBH-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)c1ccc(OC(F)F)c(F)c1C#N ZINC000575385714 395662748 /nfs/dbraw/zinc/66/27/48/395662748.db2.gz GRPSRUHCAFCJDL-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCc1cc(CC(=O)OC)c(OC(F)F)cc1C#N ZINC000575385312 395662867 /nfs/dbraw/zinc/66/28/67/395662867.db2.gz KAZDSRVAKRXABK-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCOC(=O)c1cc(F)c(C#N)cc1OC(F)F ZINC000575386020 395663050 /nfs/dbraw/zinc/66/30/50/395663050.db2.gz UWZKZBMVEBAFDO-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)Cc1c(OC(F)F)ccc(F)c1C#N ZINC000575386172 395663148 /nfs/dbraw/zinc/66/31/48/395663148.db2.gz XQSMOQARWPGBPF-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575387714 395663354 /nfs/dbraw/zinc/66/33/54/395663354.db2.gz JIAGNGMTNGWTGA-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)Cc1c(CO)ccc(C(F)F)c1C#N ZINC000575387862 395663376 /nfs/dbraw/zinc/66/33/76/395663376.db2.gz QFSJEJRXRBXIEM-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)Cc1ccc(CO)c(C#N)c1C(F)F ZINC000575387811 395663426 /nfs/dbraw/zinc/66/34/26/395663426.db2.gz PCJGBVGPAWXVIR-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)c1cc(C#N)c(OC)cc1OC(F)F ZINC000575388309 395663648 /nfs/dbraw/zinc/66/36/48/395663648.db2.gz BSHNEVIBWUKFCI-UHFFFAOYSA-N 0 0 271.219 2.345 10 30 CEEERN COC(=O)Cc1cc(OC(F)F)c(C#N)cc1C ZINC000575388503 395663687 /nfs/dbraw/zinc/66/36/87/395663687.db2.gz WKPCDTBHVDLUHO-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN CCOC(=O)c1cc(C=O)cc(C(F)F)c1C#N ZINC000575389933 395664003 /nfs/dbraw/zinc/66/40/03/395664003.db2.gz VBHRFALERUXRMC-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN CCOC(=O)Cc1ccc(CC)c([N+](=O)[O-])c1C#N ZINC000575389129 395664013 /nfs/dbraw/zinc/66/40/13/395664013.db2.gz ZSHIEULMWFMBJX-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN COC(=O)Cc1cc(C#N)c(OC(F)(F)F)cc1F ZINC000575390342 395664085 /nfs/dbraw/zinc/66/40/85/395664085.db2.gz BAUYTIMPMFHUNX-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1F ZINC000575390394 395664220 /nfs/dbraw/zinc/66/42/20/395664220.db2.gz INAUFWPKQXMMPK-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN COc1c(Cl)cc(/C=N\n2cnnc2)cc1Cl ZINC000000459765 286184168 /nfs/dbraw/zinc/18/41/68/286184168.db2.gz NGOJHUMAWBDYOV-TVPGTPATSA-N 0 0 271.107 2.476 10 30 CEEERN Nc1ncnc(N=NCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000005446930 170100323 /nfs/dbraw/zinc/10/03/23/170100323.db2.gz OCLMYRQGSKBEJL-FZSIALSZSA-N 0 0 292.686 2.066 10 30 CEEERN C=C(CC)CN1Cc2cccc3[nH]c(=O)n(c32)C[C@H]1C ZINC000005964744 170163808 /nfs/dbraw/zinc/16/38/08/170163808.db2.gz WXVTYYAJUQJWTR-GFCCVEGCSA-N 0 0 271.364 2.500 10 30 CEEERN O=c1[nH]ncc(NN=Cc2c[nH]c3ccccc23)c1Cl ZINC000006565865 170213743 /nfs/dbraw/zinc/21/37/43/170213743.db2.gz KZKXVWUREGNZCL-OMCISZLKSA-N 0 0 287.710 2.351 10 30 CEEERN COC(=O)c1ccc(CN=Nc2oc(C)nc2C#N)cc1 ZINC000006861405 170250537 /nfs/dbraw/zinc/25/05/37/170250537.db2.gz ANWBWTSOTLLEGG-LZYBPNLTSA-N 0 0 284.275 2.087 10 30 CEEERN CC(C)NC(=S)NN=Cc1ccc2c(c1)OCCO2 ZINC000008691221 170345816 /nfs/dbraw/zinc/34/58/16/170345816.db2.gz PHIMIJBJYDOSBV-RIYZIHGNSA-N 0 0 279.365 2.076 10 30 CEEERN C=CCNC(=S)Nc1ccccc1C(=O)NCCC ZINC000014569164 170638009 /nfs/dbraw/zinc/63/80/09/170638009.db2.gz YNIJUKLGLMEUGV-UHFFFAOYSA-N 0 0 277.393 2.299 10 30 CEEERN C=CCn1c(CC)nnc1S[C@H](C)C(=O)OCC ZINC000020425674 171192068 /nfs/dbraw/zinc/19/20/68/171192068.db2.gz IIIFETYTFSEJGE-SECBINFHSA-N 0 0 269.370 2.070 10 30 CEEERN C=CCn1c(COC)nnc1SCc1ccncc1 ZINC000020425890 171192261 /nfs/dbraw/zinc/19/22/61/171192261.db2.gz MNBDCFMGYGWSHH-UHFFFAOYSA-N 0 0 276.365 2.298 10 30 CEEERN N#Cc1ccc(C[NH+]2CCC(CC(=O)[O-])CC2)cc1 ZINC000020457734 171209025 /nfs/dbraw/zinc/20/90/25/171209025.db2.gz SZWOZAOSEFSKRI-UHFFFAOYSA-N 0 0 258.321 2.245 10 30 CEEERN CCCCOCCOCc1ccccc1/C(N)=N/O ZINC000020516340 171232334 /nfs/dbraw/zinc/23/23/34/171232334.db2.gz KGCASOZOIHFVBD-UHFFFAOYSA-N 0 0 266.341 2.114 10 30 CEEERN N/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\O ZINC000021966411 171343704 /nfs/dbraw/zinc/34/37/04/171343704.db2.gz XWAPMIYYHJJIEM-UHFFFAOYSA-N 0 0 262.096 2.068 10 30 CEEERN N#Cc1cccnc1NCC[C@@H]1c2ccccc2NC1=O ZINC000032534455 171732120 /nfs/dbraw/zinc/73/21/20/171732120.db2.gz DXOFEFULZUGPEM-CYBMUJFWSA-N 0 0 278.315 2.491 10 30 CEEERN N#C[C@@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000033439846 171798783 /nfs/dbraw/zinc/79/87/83/171798783.db2.gz RVTKBQVSDRZKLH-ZETCQYMHSA-N 0 0 265.656 2.125 10 30 CEEERN CC[C@@H](CC#N)Nc1ccc(S(C)(=O)=O)cc1 ZINC000036679533 172651875 /nfs/dbraw/zinc/65/18/75/172651875.db2.gz JOUQKQPXMCXQFU-JTQLQIEISA-N 0 0 252.339 2.194 10 30 CEEERN C=C(C)COc1cc([N+](=O)[O-])c(CO)cc1OC ZINC000037226559 173046661 /nfs/dbraw/zinc/04/66/61/173046661.db2.gz JDNNRPQDGWISCP-UHFFFAOYSA-N 0 0 253.254 2.051 10 30 CEEERN C#CCNC(=O)[C@@H](C)Nc1cc(Br)ccc1C ZINC000037368210 173157372 /nfs/dbraw/zinc/15/73/72/173157372.db2.gz XZJIWBLWGMTJBG-SNVBAGLBSA-N 0 0 295.180 2.307 10 30 CEEERN CSCC(=O)Nc1cc(C#CCCO)ccc1C ZINC000037550344 173268375 /nfs/dbraw/zinc/26/83/75/173268375.db2.gz PKGGTTAAFYRVCJ-UHFFFAOYSA-N 0 0 263.362 2.030 10 30 CEEERN CN(C)c1ccc([C@H](C#N)NC[C@H]2CCCO2)cc1 ZINC000037939985 173879636 /nfs/dbraw/zinc/87/96/36/173879636.db2.gz WSLALQBQHVGQQO-CABCVRRESA-N 0 0 259.353 2.086 10 30 CEEERN N#Cc1ccsc1NC(=O)COc1ccc(N)cc1 ZINC000038055441 174066742 /nfs/dbraw/zinc/06/67/42/174066742.db2.gz BDXHKROZNSGCCQ-UHFFFAOYSA-N 0 0 273.317 2.219 10 30 CEEERN Cc1cc(=O)[nH]c(NN=Cc2cccc(Cl)c2)n1 ZINC000038201684 174136793 /nfs/dbraw/zinc/13/67/93/174136793.db2.gz FSKXAQZLCJJTHC-AUWJEWJLSA-N 0 0 262.700 2.178 10 30 CEEERN C=CCn1c(CNC(=O)C(=C)C)nc2ccccc21 ZINC000040194166 174202887 /nfs/dbraw/zinc/20/28/87/174202887.db2.gz PIOXIXJHDLSLBK-UHFFFAOYSA-N 0 0 255.321 2.415 10 30 CEEERN N#CC1(NS(=O)(=O)c2cccc(Cl)c2)CCCC1 ZINC000040215419 174204351 /nfs/dbraw/zinc/20/43/51/174204351.db2.gz GUXRUUHCIATSFR-UHFFFAOYSA-N 0 0 284.768 2.455 10 30 CEEERN N#Cc1ccnc(-n2ccnc2-c2cccc(N)c2)c1 ZINC000040516847 174307361 /nfs/dbraw/zinc/30/73/61/174307361.db2.gz PWSRVCXIILGAOS-UHFFFAOYSA-N 0 0 261.288 2.388 10 30 CEEERN N#Cc1ccc(-n2ccnc2-c2ccc(N)cc2)nc1 ZINC000040517007 174307562 /nfs/dbraw/zinc/30/75/62/174307562.db2.gz NPOSEXKMDDWCFT-UHFFFAOYSA-N 0 0 261.288 2.388 10 30 CEEERN C=CCNc1ncnc(Nc2ccc(C)cn2)c1[N+](=O)[O-] ZINC000040598957 174349801 /nfs/dbraw/zinc/34/98/01/174349801.db2.gz KWONVQIVPRYAGB-UHFFFAOYSA-N 0 0 286.295 2.430 10 30 CEEERN C=CCNc1ncnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000040598946 174349803 /nfs/dbraw/zinc/34/98/03/174349803.db2.gz CMWXMGIOYATYBY-UHFFFAOYSA-N 0 0 273.252 2.170 10 30 CEEERN C[C@@H](C(=O)N1CCCCCC1)N(CCC#N)C1CC1 ZINC000042549120 174789010 /nfs/dbraw/zinc/78/90/10/174789010.db2.gz JDXLIHXFXQQQDZ-ZDUSSCGKSA-N 0 0 263.385 2.156 10 30 CEEERN C=CCNC(=O)[C@@H](C)Nc1cc(OC)ccc1Cl ZINC000043317905 175005075 /nfs/dbraw/zinc/00/50/75/175005075.db2.gz OLIXPJXGJDCTDH-SECBINFHSA-N 0 0 268.744 2.451 10 30 CEEERN CC(C)N(CCC#N)Cc1cc(C#CCO)cs1 ZINC000043698712 175096841 /nfs/dbraw/zinc/09/68/41/175096841.db2.gz BRKGOYIGIAGKFU-UHFFFAOYSA-N 0 0 262.378 2.216 10 30 CEEERN CC1(C)CN(C(=O)C2(C#N)CCCCCC2)CCO1 ZINC000044765889 175248867 /nfs/dbraw/zinc/24/88/67/175248867.db2.gz BQMWSSYRPRYELJ-UHFFFAOYSA-N 0 0 264.369 2.488 10 30 CEEERN N#CC1(C(=O)Nc2c(F)cccc2F)CCOCC1 ZINC000044765371 175249059 /nfs/dbraw/zinc/24/90/59/175249059.db2.gz SFDJSJQTUHXVGV-UHFFFAOYSA-N 0 0 266.247 2.224 10 30 CEEERN CCN(C(=O)C1(C#N)CCOCC1)C1CCCC1 ZINC000044765732 175249130 /nfs/dbraw/zinc/24/91/30/175249130.db2.gz KIYFKKRCTYBQQF-UHFFFAOYSA-N 0 0 250.342 2.098 10 30 CEEERN N#CC1(C(=O)N2CCCC[C@H]2CO)CCCCCC1 ZINC000044766153 175249465 /nfs/dbraw/zinc/24/94/65/175249465.db2.gz LWTZNLCMRSLVCX-ZDUSSCGKSA-N 0 0 264.369 2.224 10 30 CEEERN CC(C)N(CCCO)C(=O)C1(C#N)CCCCC1 ZINC000044767008 175249620 /nfs/dbraw/zinc/24/96/20/175249620.db2.gz KGGUYOIMJOHNKA-UHFFFAOYSA-N 0 0 252.358 2.080 10 30 CEEERN COCCCCNC(=O)C1(C#N)CCCCCC1 ZINC000044767421 175249896 /nfs/dbraw/zinc/24/98/96/175249896.db2.gz NOABCHUOJWCYFG-UHFFFAOYSA-N 0 0 252.358 2.393 10 30 CEEERN COc1ccc(CCNC(=O)[C@@H](C#N)C(C)C)cc1 ZINC000044809586 175257492 /nfs/dbraw/zinc/25/74/92/175257492.db2.gz DJCGYUXSIOBKNI-AWEZNQCLSA-N 0 0 260.337 2.150 10 30 CEEERN C[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccccc2)C[C@@H](C)O1 ZINC000044808896 175257746 /nfs/dbraw/zinc/25/77/46/175257746.db2.gz HHDRUGWEJKXHPK-NFAWXSAZSA-N 0 0 272.348 2.005 10 30 CEEERN N#C[C@@H](Cc1ccccc1)C(=O)NCC(F)(F)F ZINC000044812474 175257862 /nfs/dbraw/zinc/25/78/62/175257862.db2.gz FHRWEXQTPYVLCV-SNVBAGLBSA-N 0 0 256.227 2.047 10 30 CEEERN CC1(NC(=O)c2ccc(C#CCO)cc2)CCCCC1 ZINC000045047634 175297187 /nfs/dbraw/zinc/29/71/87/175297187.db2.gz RXSUWTQSHJUHIX-UHFFFAOYSA-N 0 0 271.360 2.483 10 30 CEEERN CCCN(CC(F)(F)F)C[C@](C)(C#N)NCC ZINC000045176850 175323364 /nfs/dbraw/zinc/32/33/64/175323364.db2.gz CMWNCXSJHAUMLF-JTQLQIEISA-N 0 0 251.296 2.152 10 30 CEEERN CCN[C@](C)(C#N)CCN(CC)CC(F)(F)F ZINC000045181698 175324582 /nfs/dbraw/zinc/32/45/82/175324582.db2.gz YDTUHYWXKPRPDL-JTQLQIEISA-N 0 0 251.296 2.152 10 30 CEEERN CCN[C@](C#N)(CN(CC)C1CC1)c1ccccc1 ZINC000045180477 175324734 /nfs/dbraw/zinc/32/47/34/175324734.db2.gz DPPQIPSRXBAJAL-MRXNPFEDSA-N 0 0 257.381 2.499 10 30 CEEERN CC(C)N[C@](C)(C#N)CCOc1ccc2c(c1)OCO2 ZINC000045208766 175328880 /nfs/dbraw/zinc/32/88/80/175328880.db2.gz XYICODIMKZTCIJ-HNNXBMFYSA-N 0 0 276.336 2.464 10 30 CEEERN CCN[C@@](C)(C#N)CCOc1ccc2c(c1)CCC(=O)N2 ZINC000045209856 175329015 /nfs/dbraw/zinc/32/90/15/175329015.db2.gz PZOWQYZZKXOADA-MRXNPFEDSA-N 0 0 287.363 2.232 10 30 CEEERN CCN[C@@](C)(C#N)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000045214424 175329084 /nfs/dbraw/zinc/32/90/84/175329084.db2.gz CRSDZJWZACZBLW-ZDUSSCGKSA-N 0 0 263.297 2.174 10 30 CEEERN CCCN[C@@](C)(C#N)COc1cccc([N+](=O)[O-])c1 ZINC000045214175 175329097 /nfs/dbraw/zinc/32/90/97/175329097.db2.gz OJYPVVQHCPXGLX-ZDUSSCGKSA-N 0 0 263.297 2.255 10 30 CEEERN Cc1ccc([N+](=O)[O-])cc1OC[C@@](C)(C#N)NC1CC1 ZINC000045214700 175329751 /nfs/dbraw/zinc/32/97/51/175329751.db2.gz VNFISYNEGZGRRF-CQSZACIVSA-N 0 0 275.308 2.316 10 30 CEEERN CC(C)N[C@@](C)(C#N)CCSc1cnn(C)c1 ZINC000045220907 175329953 /nfs/dbraw/zinc/32/99/53/175329953.db2.gz PACBXELIYIMUHQ-GFCCVEGCSA-N 0 0 252.387 2.183 10 30 CEEERN CCCN[C@](C)(C#N)CCSc1ncccn1 ZINC000045219562 175330387 /nfs/dbraw/zinc/33/03/87/175330387.db2.gz FSJUEUOCHJGSEI-LBPRGKRZSA-N 0 0 250.371 2.241 10 30 CEEERN CCCN[C@H](C#N)COc1cccc([N+](=O)[O-])c1C ZINC000045331459 175360220 /nfs/dbraw/zinc/36/02/20/175360220.db2.gz SXNMWKICGSIMBQ-LLVKDONJSA-N 0 0 263.297 2.174 10 30 CEEERN CCN[C@](C)(C#N)CCCSc1ncccn1 ZINC000045365596 175362349 /nfs/dbraw/zinc/36/23/49/175362349.db2.gz IHKLXSOTMUPECU-LBPRGKRZSA-N 0 0 250.371 2.241 10 30 CEEERN CN[C@H](C#N)CSc1ccc(C(F)(F)F)cn1 ZINC000045364108 175362595 /nfs/dbraw/zinc/36/25/95/175362595.db2.gz MSFVYKBODSZKPE-MRVPVSSYSA-N 0 0 261.272 2.304 10 30 CEEERN CCN[C@@](C)(C#N)CCCSc1cnn(C)c1 ZINC000045367018 175363291 /nfs/dbraw/zinc/36/32/91/175363291.db2.gz JAKZPRABQUVIOQ-GFCCVEGCSA-N 0 0 252.387 2.184 10 30 CEEERN C[C@@H]1CCCCCN1C(=O)c1ccc(C#CCO)s1 ZINC000070412770 175915002 /nfs/dbraw/zinc/91/50/02/175915002.db2.gz CNLJQRTUBWFHNQ-GFCCVEGCSA-N 0 0 277.389 2.497 10 30 CEEERN Cc1cc(C#CCO)ccc1NC(=O)[C@H]1CCSC1 ZINC000070437859 175932301 /nfs/dbraw/zinc/93/23/01/175932301.db2.gz CAWUEAMYPVPCBU-ZDUSSCGKSA-N 0 0 275.373 2.030 10 30 CEEERN CO[C@@H]1CCC[C@@H](Oc2cncc(C#CCCO)c2)C1 ZINC000070487434 175954910 /nfs/dbraw/zinc/95/49/10/175954910.db2.gz CTAWDESVISKBDM-HUUCEWRRSA-N 0 0 275.348 2.152 10 30 CEEERN COC(=O)C#Cc1cc(Br)ccc1F ZINC000070835408 176008326 /nfs/dbraw/zinc/00/83/26/176008326.db2.gz KQMDFKMZFSRIEF-UHFFFAOYSA-N 0 0 257.058 2.113 10 30 CEEERN C=CCN[C@](C)(Cc1ccc(OC)cc1)C(=O)OCC ZINC000071169783 176050422 /nfs/dbraw/zinc/05/04/22/176050422.db2.gz DLOFIDMCEJXCNK-MRXNPFEDSA-N 0 0 277.364 2.335 10 30 CEEERN C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1C#CCCO ZINC000071210917 176082746 /nfs/dbraw/zinc/08/27/46/176082746.db2.gz ATZAYQUPLNFYJS-CJNGLKHVSA-N 0 0 271.360 2.339 10 30 CEEERN COCCN(CCC#N)Cc1cc(N)ccc1Cl ZINC000071221698 176087848 /nfs/dbraw/zinc/08/78/48/176087848.db2.gz IBGSIEYJFILBOH-UHFFFAOYSA-N 0 0 267.760 2.284 10 30 CEEERN COCCN(CCC#N)c1cc(C)nc(C(C)C)n1 ZINC000071231089 176091971 /nfs/dbraw/zinc/09/19/71/176091971.db2.gz AZGXSHKFZRUMIL-UHFFFAOYSA-N 0 0 262.357 2.275 10 30 CEEERN Cc1occc1C(=O)NCc1ccc(C#CCCO)s1 ZINC000071322666 176123009 /nfs/dbraw/zinc/12/30/09/176123009.db2.gz PWAJNTBJDWTXEY-UHFFFAOYSA-N 0 0 289.356 2.313 10 30 CEEERN N#Cc1cc2ccccc2nc1N(CCO)C1CC1 ZINC000071386236 176147353 /nfs/dbraw/zinc/14/73/53/176147353.db2.gz JSTNRBNZANGPET-UHFFFAOYSA-N 0 0 253.305 2.068 10 30 CEEERN C=CCS(=O)(=O)CC(=O)Nc1ccccc1OCCC ZINC000071530459 176194813 /nfs/dbraw/zinc/19/48/13/176194813.db2.gz SXBBGLOFMKKBAV-UHFFFAOYSA-N 0 0 297.376 2.015 10 30 CEEERN C=CCN(CCC(=O)OCC)C(=O)C(CC)CC ZINC000071604333 176229669 /nfs/dbraw/zinc/22/96/69/176229669.db2.gz IFYNVLZLYSVIPH-UHFFFAOYSA-N 0 0 255.358 2.390 10 30 CEEERN C[C@@H](O)CN1C(=O)c2c(ccc3ccccc23)[C@H]1C#N 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COc1ccc(OCc2cccnc2C#N)c([N+](=O)[O-])c1 ZINC000061664936 524974972 /nfs/dbraw/zinc/97/49/72/524974972.db2.gz SNTVWBOQNMAWBR-UHFFFAOYSA-N 0 0 285.259 2.449 10 30 CEEERN C[C@@H](NC(=O)C1CCC1)c1ccc(C#CCO)cc1 ZINC000049588488 525065747 /nfs/dbraw/zinc/06/57/47/525065747.db2.gz YCXYIKCERABZMA-GFCCVEGCSA-N 0 0 257.333 2.008 10 30 CEEERN Cc1ccc(NC(=O)c2ccc(C#CCCO)cn2)cc1 ZINC000061861050 525236270 /nfs/dbraw/zinc/23/62/70/525236270.db2.gz LHUXEPHWFCGRCL-UHFFFAOYSA-N 0 0 280.327 2.376 10 30 CEEERN Cc1cc(NCCCn2ccnc2)c(C#N)c(C)n1 ZINC000157385144 525269843 /nfs/dbraw/zinc/26/98/43/525269843.db2.gz WGLASPAMCUEWMA-UHFFFAOYSA-N 0 0 255.325 2.269 10 30 CEEERN C[C@]1(Nc2cc(Cl)ccc2C#N)CCS(=O)(=O)C1 ZINC000062790067 525302023 /nfs/dbraw/zinc/30/20/23/525302023.db2.gz UKBQRUSMPFQNCH-LBPRGKRZSA-N 0 0 284.768 2.201 10 30 CEEERN CSCCCNC(=O)c1ccc(C#CCCO)cc1F ZINC000069461521 525475762 /nfs/dbraw/zinc/47/57/62/525475762.db2.gz FXYBWABLQYMEED-UHFFFAOYSA-N 0 0 295.379 2.043 10 30 CEEERN Cc1c(N)cc(C(=O)OCc2cccnc2C#N)cc1F ZINC000061663936 525817441 /nfs/dbraw/zinc/81/74/41/525817441.db2.gz FNNDFOVEHXLTDX-UHFFFAOYSA-N 0 0 285.278 2.340 10 30 CEEERN C[C@H](C#N)CN(C)c1nc(Cl)nc(N2CCCCC2)n1 ZINC000061539883 525920659 /nfs/dbraw/zinc/92/06/59/525920659.db2.gz BKIRFLJTYXICKT-SNVBAGLBSA-N 0 0 294.790 2.111 10 30 CEEERN C[C@H](C#N)NC(=O)CCOc1cccc(Cl)c1 ZINC000068924685 525922372 /nfs/dbraw/zinc/92/23/72/525922372.db2.gz XMPPNHDAXQBKBL-SECBINFHSA-N 0 0 252.701 2.137 10 30 CEEERN Cc1ccc(C#N)cc1N1C(=O)c2cccnc2C1=O ZINC000050436443 525995352 /nfs/dbraw/zinc/99/53/52/525995352.db2.gz IJYGZHBECGKDDG-UHFFFAOYSA-N 0 0 263.256 2.062 10 30 CEEERN C[C@@H](c1cccc(C#CCO)c1)N1C(=O)CCCCC1=O ZINC000049591009 526065389 /nfs/dbraw/zinc/06/53/89/526065389.db2.gz ZSSPNFUADYCEJX-ZDUSSCGKSA-N 0 0 285.343 2.021 10 30 CEEERN C[C@H](C/C(N)=N/O)N(C)c1cccc(C(F)(F)F)n1 ZINC000063090019 526195248 /nfs/dbraw/zinc/19/52/48/526195248.db2.gz ZRVUUUAZECPXKL-SSDOTTSWSA-N 0 0 276.262 2.062 10 30 CEEERN Cc1nn(CCC[C@@](C)(N)C#N)c(C)c1Br ZINC000050594788 526280611 /nfs/dbraw/zinc/28/06/11/526280611.db2.gz OGUNRVNBWSTWLW-LLVKDONJSA-N 0 0 285.189 2.284 10 30 CEEERN Cc1nnc(SCC[C@](C)(C#N)NC(C)C)o1 ZINC000051038750 526384855 /nfs/dbraw/zinc/38/48/55/526384855.db2.gz ZKHAVHLUBRTPPW-LLVKDONJSA-N 0 0 254.359 2.141 10 30 CEEERN N#C[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000061614166 526505814 /nfs/dbraw/zinc/50/58/14/526505814.db2.gz JVQZBMSICBQCMX-AWEZNQCLSA-N 0 0 251.289 2.005 10 30 CEEERN N#C[C@H](N)CSc1cccc(Br)c1 ZINC000055309190 526510165 /nfs/dbraw/zinc/51/01/65/526510165.db2.gz GKMCMVHXCMGOCV-QMMMGPOBSA-N 0 0 257.156 2.392 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1N ZINC000062823537 526513220 /nfs/dbraw/zinc/51/32/20/526513220.db2.gz DTVOBOWUVWSIHT-PELKAZGASA-N 0 0 263.728 2.344 10 30 CEEERN N#C[C@](N)(CSc1ncnc2ccccc21)C1CC1 ZINC000069092671 526514443 /nfs/dbraw/zinc/51/44/43/526514443.db2.gz ZMUWJZFJMVXTTA-AWEZNQCLSA-N 0 0 270.361 2.353 10 30 CEEERN N#Cc1cc(CN2C(=O)C(=O)c3cccc(Cl)c32)ccn1 ZINC000068756075 526548233 /nfs/dbraw/zinc/54/82/33/526548233.db2.gz DSYWTMIIUQSWHN-UHFFFAOYSA-N 0 0 297.701 2.336 10 30 CEEERN N#Cc1cc(COc2ccc3c(c2)OCC3=O)ccn1 ZINC000068755531 526551132 /nfs/dbraw/zinc/55/11/32/526551132.db2.gz NIOLXYZTVFPVCY-UHFFFAOYSA-N 0 0 266.256 2.107 10 30 CEEERN N#Cc1cc(Cl)ccc1NC[C@H]1CCS(=O)(=O)C1 ZINC000052857476 526554297 /nfs/dbraw/zinc/55/42/97/526554297.db2.gz DNFZYZKIFQZPIU-SECBINFHSA-N 0 0 284.768 2.058 10 30 CEEERN N#Cc1cc([N+](=O)[O-])cnc1Oc1cccc(O)c1 ZINC000050442701 526578533 /nfs/dbraw/zinc/57/85/33/526578533.db2.gz GAIPPOIWNLOZOY-UHFFFAOYSA-N 0 0 257.205 2.359 10 30 CEEERN N#Cc1ccc(CNC(=O)c2cc(F)c(F)cc2N)cc1 ZINC000050017027 526621767 /nfs/dbraw/zinc/62/17/67/526621767.db2.gz QHBWVDMRABQFTF-UHFFFAOYSA-N 0 0 287.269 2.349 10 30 CEEERN N#Cc1cccc(OCc2ccc(NN)c([N+](=O)[O-])c2)c1 ZINC000051149928 526729604 /nfs/dbraw/zinc/72/96/04/526729604.db2.gz RAOLLFWKSIZLOW-UHFFFAOYSA-N 0 0 284.275 2.331 10 30 CEEERN O=C(NCc1ccccc1C#CCCO)c1ccsc1 ZINC000049589237 526743204 /nfs/dbraw/zinc/74/32/04/526743204.db2.gz WPZOZEFULXGLER-UHFFFAOYSA-N 0 0 285.368 2.412 10 30 CEEERN O=C1CCCCCCN1Cc1ccc(F)cc1C#CCO ZINC000049618803 526969892 /nfs/dbraw/zinc/96/98/92/526969892.db2.gz RKHKJZGEFSMLHV-UHFFFAOYSA-N 0 0 289.350 2.462 10 30 CEEERN O=C1CCCCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000049618766 526970566 /nfs/dbraw/zinc/97/05/66/526970566.db2.gz REAHNUVKAJNTJL-UHFFFAOYSA-N 0 0 275.323 2.072 10 30 CEEERN O=C(Nc1cc(C#CCCO)ccc1Cl)C1CC1 ZINC000061691731 527102348 /nfs/dbraw/zinc/10/23/48/527102348.db2.gz SXIIKEQECLITDP-UHFFFAOYSA-N 0 0 263.724 2.422 10 30 CEEERN Cc1nn(C)c(N(C)c2ccc(C#N)cc2)c1[N+](=O)[O-] ZINC000061957172 527669853 /nfs/dbraw/zinc/66/98/53/527669853.db2.gz XQAOECYDMWGSDH-UHFFFAOYSA-N 0 0 271.280 2.276 10 30 CEEERN CCn1cc([C@@H]2CN(Cc3cccc(C#N)c3)CCO2)cn1 ZINC000191701817 536091464 /nfs/dbraw/zinc/09/14/64/536091464.db2.gz DONXBXXKFAGHSB-KRWDZBQOSA-N 0 0 296.374 2.348 10 30 CEEERN CN(C)/C=C/C(=O)c1cncc(Br)c1 ZINC000116379252 567892753 /nfs/dbraw/zinc/89/27/53/567892753.db2.gz GLDHCTXOXXKUEB-ONEGZZNKSA-N 0 0 255.115 2.102 10 30 CEEERN N#Cc1ccccc1[C@@H](C[NH3+])C1(C(=O)[O-])CCCC1 ZINC000536955394 570239511 /nfs/dbraw/zinc/23/95/11/570239511.db2.gz YDPZQUOUEDGXIC-CYBMUJFWSA-N 0 0 258.321 2.246 10 30 CEEERN C[C@@H](C#N)NC(=O)c1cnc(Cl)c(Br)c1 ZINC000308795029 624199525 /nfs/dbraw/zinc/19/95/25/624199525.db2.gz IRJRYLXOTBLUKI-YFKPBYRVSA-N 0 0 288.532 2.139 10 30 CEEERN C#CCN(C)C(=O)[C@@]1(C)CCCCN1C(=O)OC(C)(C)C ZINC000191080308 630616656 /nfs/dbraw/zinc/61/66/56/630616656.db2.gz YDEFFCDUVDKQEC-MRXNPFEDSA-N 0 0 294.395 2.258 10 30 CEEERN C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)O1 ZINC000121305310 631058702 /nfs/dbraw/zinc/05/87/02/631058702.db2.gz HBURZNHCFWPJOX-GIPNMCIBSA-N 0 0 269.304 2.307 10 30 CEEERN C#CCCCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000174097994 639899079 /nfs/dbraw/zinc/89/90/79/639899079.db2.gz OYWVQKJWCJVKMH-LBPRGKRZSA-N 0 0 288.347 2.231 10 30 CEEERN C#CCCCNC(=O)N[C@H](C)COCc1ccccc1 ZINC000174103695 639901558 /nfs/dbraw/zinc/90/15/58/639901558.db2.gz PUIPTAGAEKQXJY-CQSZACIVSA-N 0 0 274.364 2.304 10 30 CEEERN C#CCCCNC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000174576995 639937829 /nfs/dbraw/zinc/93/78/29/639937829.db2.gz AJJYDYQPUZQJIE-QWHCGFSZSA-N 0 0 294.395 2.209 10 30 CEEERN C[C@H](OC(=O)c1ccccc1OCC#N)[C@@H]1CCOC1 ZINC000175292398 641321615 /nfs/dbraw/zinc/32/16/15/641321615.db2.gz ZOKVRNWFHADGSP-NWDGAFQWSA-N 0 0 275.304 2.171 10 30 CEEERN C#CCOc1ccccc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000124627064 649719539 /nfs/dbraw/zinc/71/95/39/649719539.db2.gz AQYJIEKSUNDEOR-SMDDNHRTSA-N 0 0 260.289 2.172 10 30 CEEERN C[C@H]1CC[C@@H](C(=O)OCCOc2ccc(C#N)cc2)O1 ZINC000124829996 649747757 /nfs/dbraw/zinc/74/77/57/649747757.db2.gz GVWZEQDVNXJISW-FZMZJTMJSA-N 0 0 275.304 2.048 10 30 CEEERN C[C@@H](OC(=O)Cn1ccc(=O)c2ccccc21)C(C)(C)C#N ZINC000131649334 652447729 /nfs/dbraw/zinc/44/77/29/652447729.db2.gz AYXZUEJNEUGBFG-GFCCVEGCSA-N 0 0 298.342 2.483 10 30 CEEERN N/C(=N\O)c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000032917307 361766663 /nfs/dbraw/zinc/76/66/63/361766663.db2.gz QFYSXZKQIVIDLX-UHFFFAOYSA-N 0 0 270.292 2.425 10 30 CEEERN N/C(=N\O)c1ccc(OCCCc2ccncc2)cc1 ZINC000034958561 361799847 /nfs/dbraw/zinc/79/98/47/361799847.db2.gz MKDKKXAVMOWNMH-UHFFFAOYSA-N 0 0 271.320 2.188 10 30 CEEERN C[C@@H](C(=O)NO)C(=O)N(c1ccccc1)c1ccccc1 ZINC000033853696 361786140 /nfs/dbraw/zinc/78/61/40/361786140.db2.gz YIFMYXKOKNJLOU-LBPRGKRZSA-N 0 0 284.315 2.493 10 30 CEEERN COc1nc(N)c(C=O)c(-c2ccccc2)c1C#N ZINC000034607232 361791707 /nfs/dbraw/zinc/79/17/07/361791707.db2.gz DJFROAQAVZBRHS-UHFFFAOYSA-N 0 0 253.261 2.024 10 30 CEEERN CN[C@](C)(C#N)C[C@@H](C)Sc1nnc(C)s1 ZINC000082797171 178301434 /nfs/dbraw/zinc/30/14/34/178301434.db2.gz VXCULKFOUVETGT-XCBNKYQSSA-N 0 0 256.400 2.219 10 30 CEEERN N#CCC[S@](=O)c1cccc(Br)c1 ZINC000082787816 178293775 /nfs/dbraw/zinc/29/37/75/178293775.db2.gz VASGMMLMYRGFHI-CYBMUJFWSA-N 0 0 258.140 2.470 10 30 CEEERN C[C@@H](C#N)[S@](=O)c1ccc(Br)cc1 ZINC000082788879 178294112 /nfs/dbraw/zinc/29/41/12/178294112.db2.gz LAVVPIXPNDNTTL-WPPNPWJKSA-N 0 0 258.140 2.469 10 30 CEEERN CC(C)[C@]1(C)CC(=O)N(c2ccc(C#N)cc2N)C1=O ZINC000096601617 185108207 /nfs/dbraw/zinc/10/82/07/185108207.db2.gz AMDDERWAQTWAEA-HNNXBMFYSA-N 0 0 271.320 2.066 10 30 CEEERN C=CCN(CC(=O)Nc1ccc(CC)cc1)C(C)=O ZINC000096774988 185112408 /nfs/dbraw/zinc/11/24/08/185112408.db2.gz JIEGOTPQKJWXHD-UHFFFAOYSA-N 0 0 260.337 2.222 10 30 CEEERN C=CCN(C(C)=O)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000096775283 185112529 /nfs/dbraw/zinc/11/25/29/185112529.db2.gz JOAAGQMCIDQZLO-LLVKDONJSA-N 0 0 276.336 2.057 10 30 CEEERN Cc1nc(NC(=O)CC#N)ccc1Br ZINC000083397648 178408800 /nfs/dbraw/zinc/40/88/00/178408800.db2.gz MMTBQFFHEBVRIS-UHFFFAOYSA-N 0 0 254.087 2.005 10 30 CEEERN COC(=O)[C@H](CC=O)c1cccc(Br)c1 ZINC000096945091 185134790 /nfs/dbraw/zinc/13/47/90/185134790.db2.gz QSUCKTDVWQQJNY-SNVBAGLBSA-N 0 0 271.110 2.295 10 30 CEEERN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H](C)O1 ZINC000097036297 185166385 /nfs/dbraw/zinc/16/63/85/185166385.db2.gz INKTXVGMRIWOFM-NXEZZACHSA-N 0 0 277.299 2.338 10 30 CEEERN N#Cc1cccc(NC[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000125939749 187206288 /nfs/dbraw/zinc/20/62/88/187206288.db2.gz UOLNZZXVNMAWRV-ZYHUDNBSSA-N 0 0 261.281 2.039 10 30 CEEERN C[C@H](Cc1ccsc1)N(C)c1cnc(C#N)cn1 ZINC000126279084 187229422 /nfs/dbraw/zinc/22/94/22/187229422.db2.gz HBNDCIUUJSVNJT-SNVBAGLBSA-N 0 0 258.350 2.477 10 30 CEEERN C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000045032569 362158163 /nfs/dbraw/zinc/15/81/63/362158163.db2.gz WGKAJWVICBFKKG-GWCFXTLKSA-N 0 0 259.309 2.247 10 30 CEEERN COC(=O)COc1ccc(C#Cc2ccc(N)cc2)cc1 ZINC000035259709 343422044 /nfs/dbraw/zinc/42/20/44/343422044.db2.gz XZSIRLASPAGOOQ-UHFFFAOYSA-N 0 0 281.311 2.220 10 30 CEEERN CCOC1=C(Cl)C(=O)C(Cl)=C(OCC)C1=O ZINC000100108722 344247379 /nfs/dbraw/zinc/24/73/79/344247379.db2.gz ZLMZSXSEUCYTQH-UHFFFAOYSA-N 0 0 265.092 2.112 10 30 CEEERN N#CNC(=NCCF)N[C@@H]1CCCc2c(F)cccc21 ZINC000115344688 344282419 /nfs/dbraw/zinc/28/24/19/344282419.db2.gz DAWNMYURKPZZPC-CYBMUJFWSA-N 0 0 278.306 2.189 10 30 CEEERN C#CC[C@@H](NN)c1ccc(Br)cc1C ZINC000126608584 344325038 /nfs/dbraw/zinc/32/50/38/344325038.db2.gz VLIAEPQRYYIPNS-LLVKDONJSA-N 0 0 253.143 2.285 10 30 CEEERN COc1cc(C#N)ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000130166591 344350730 /nfs/dbraw/zinc/35/07/30/344350730.db2.gz ZGGDOKKNCJXFKW-BXKDBHETSA-N 0 0 260.293 2.073 10 30 CEEERN Cc1cnc(CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)s1 ZINC000328634210 334955407 /nfs/dbraw/zinc/95/54/07/334955407.db2.gz TUBDXIXSECYUAQ-SECBINFHSA-N 0 0 292.364 2.183 10 30 CEEERN COCCCCOc1cc(OCC#N)ccc1C(=O)OC ZINC000145180035 344408788 /nfs/dbraw/zinc/40/87/88/344408788.db2.gz ACWXXVXPVQECGV-UHFFFAOYSA-N 0 0 293.319 2.181 10 30 CEEERN C#C[C@H](NN)c1cc(Br)ccc1Cl ZINC000158073321 344449885 /nfs/dbraw/zinc/44/98/85/344449885.db2.gz ZAWFKMOXXFLVKG-VIFPVBQESA-N 0 0 259.534 2.240 10 30 CEEERN C=C(Br)Cn1c(C)nc(Cl)cc1=O ZINC000166214072 344476074 /nfs/dbraw/zinc/47/60/74/344476074.db2.gz PEIQWDLCXHXSOI-UHFFFAOYSA-N 0 0 263.522 2.114 10 30 CEEERN Cc1ccc(S(=O)(=O)OCC[C@@H](O)C(C)C)cc1 ZINC000168204294 344479728 /nfs/dbraw/zinc/47/97/28/344479728.db2.gz WPKNHNSTEJCQQO-CYBMUJFWSA-N 0 0 272.366 2.107 10 30 CEEERN CC1(C)C(c2ccccc2)=[N+]([O-])[C@]2(CCCCC2=O)N1O ZINC000225399802 344545507 /nfs/dbraw/zinc/54/55/07/344545507.db2.gz IGDWFAJCGGNJAD-MRXNPFEDSA-N 0 0 289.355 2.200 10 30 CEEERN Cc1nc(N(CC#N)CC#N)ccc1Br ZINC000235829616 344592914 /nfs/dbraw/zinc/59/29/14/344592914.db2.gz KCFBGNGQWDNIFF-UHFFFAOYSA-N 0 0 265.114 2.006 10 30 CEEERN N#CCc1ccc([N+](=O)[O-])c(I)c1 ZINC000238581078 344607052 /nfs/dbraw/zinc/60/70/52/344607052.db2.gz ZAMHSCDEYUWQAY-UHFFFAOYSA-N 0 0 288.044 2.265 10 30 CEEERN N#Cc1ccc(Br)c([C@H]2CCC[NH2+]2)c1[O-] ZINC000308773724 344728707 /nfs/dbraw/zinc/72/87/07/344728707.db2.gz BWMGGBPZEQVFGJ-SECBINFHSA-N 0 0 267.126 2.451 10 30 CEEERN N#C[C@]1(c2ncc(Br)cn2)CCCS1 ZINC000306226400 344712387 /nfs/dbraw/zinc/71/23/87/344712387.db2.gz FZNOTZGIUYYAQA-VIFPVBQESA-N 0 0 270.155 2.485 10 30 CEEERN O=C1c2ccccc2C(=O)N1c1cccc(C#CCCO)c1 ZINC000306668684 344716246 /nfs/dbraw/zinc/71/62/46/344716246.db2.gz FZWDFBSVDIKDON-UHFFFAOYSA-N 0 0 291.306 2.221 10 30 CEEERN COC(=O)c1cc(C)c(Br)cc1C#N ZINC000306825307 344717721 /nfs/dbraw/zinc/71/77/21/344717721.db2.gz WOUPNPUQXBKLFD-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN Cc1cncc(NC(=O)NC[C@H]2CCn3ccnc3C2)c1 ZINC000328614844 344755591 /nfs/dbraw/zinc/75/55/91/344755591.db2.gz AMNARFFIJOMWBQ-LBPRGKRZSA-N 0 0 285.351 2.175 10 30 CEEERN COc1cc(CN[C@@H]2CCCC[C@H]2C#N)sn1 ZINC000399128613 344856997 /nfs/dbraw/zinc/85/69/97/344856997.db2.gz NSJMCERVOZNKAI-GXSJLCMTSA-N 0 0 251.355 2.324 10 30 CEEERN C=C1C[C@@](C)(CC[C@@]2(C)CC(=C)C(=O)O2)OC1=O ZINC000584621458 344967420 /nfs/dbraw/zinc/96/74/20/344967420.db2.gz JMTOUEDMMJIXSA-OKILXGFUSA-N 0 0 250.294 2.290 10 30 CEEERN CC(/C=C/[C@](O)(c1ccccc1)C1(C#N)CC1)=C\C(N)=O ZINC000584623954 344967960 /nfs/dbraw/zinc/96/79/60/344967960.db2.gz IZKOAQBFBQQTIN-KASXSAFXSA-N 0 0 282.343 2.166 10 30 CEEERN Cc1ccc2c(c1)C(=O)n1c-2nc2ccc(C#N)cc2c1=O ZINC000584654014 344974088 /nfs/dbraw/zinc/97/40/88/344974088.db2.gz MESYWUUUADWUGC-UHFFFAOYSA-N 0 0 287.278 2.246 10 30 CEEERN N#Cc1cccc(N[C@@H]2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000590685762 345160949 /nfs/dbraw/zinc/16/09/49/345160949.db2.gz MCNQTBOJHBNLJT-GHMZBOCLSA-N 0 0 261.281 2.182 10 30 CEEERN N#C[C@H]1CCC[C@H]1[S@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000084264749 178834622 /nfs/dbraw/zinc/83/46/22/178834622.db2.gz RFCGDAITNXTKFA-RVQCWIKKSA-N 0 0 264.306 2.395 10 30 CEEERN CC(C)[S@@](=O)CCOc1ccc(CC#N)cc1 ZINC000084266474 178834778 /nfs/dbraw/zinc/83/47/78/178834778.db2.gz XMRKEEGEJAVGAT-QGZVFWFLSA-N 0 0 251.351 2.289 10 30 CEEERN CC(C)[S@](=O)CCCC(=O)Nc1cccc(C#N)c1 ZINC000084266306 178834781 /nfs/dbraw/zinc/83/47/81/178834781.db2.gz XDTAFYKICAMNMJ-IBGZPJMESA-N 0 0 278.377 2.434 10 30 CEEERN Cc1c(O)cccc1NC(=O)c1ccc(C#N)cn1 ZINC000085203140 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C[C@@H]1C[C@@](C#N)(NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000575496667 366291825 /nfs/dbraw/zinc/29/18/25/366291825.db2.gz NRYYLJHAIYRFKA-DDFAGTSDSA-N 0 0 254.330 2.361 10 30 CEEERN CN(C)C(=O)C(=O)/C=C/C#Cc1cccc(C(F)(F)F)c1 ZINC000575601689 366298787 /nfs/dbraw/zinc/29/87/87/366298787.db2.gz GSGCNQFWCLPAPT-RUDMXATFSA-N 0 0 295.260 2.270 10 30 CEEERN N#CCc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575649822 366312812 /nfs/dbraw/zinc/31/28/12/366312812.db2.gz PVQINWYHCSZTNT-UHFFFAOYSA-N 0 0 271.154 2.431 10 30 CEEERN CCOC(=O)Cc1cc(OCC)cc(OCC)c1C#N ZINC000575671907 366323832 /nfs/dbraw/zinc/32/38/32/366323832.db2.gz YZYLJVRICTXJHW-UHFFFAOYSA-N 0 0 277.320 2.461 10 30 CEEERN N#CCc1cc(I)c(F)cc1N ZINC000575718249 366343905 /nfs/dbraw/zinc/34/39/05/366343905.db2.gz HEDSYFXPZMYUOX-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN N#Cc1cc(N)cc(Cl)c1I ZINC000575720348 366345014 /nfs/dbraw/zinc/34/50/14/366345014.db2.gz LNEVHSXBYCKDFE-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN 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286.349 2.000 10 30 CEEERN Cc1noc(C)c1CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235819890 370578421 /nfs/dbraw/zinc/57/84/21/370578421.db2.gz ZIWVMRKYBVMJRD-UHFFFAOYSA-N 0 0 273.252 2.078 10 30 CEEERN C#CCOC(=O)Nc1ncccc1Br ZINC000307327063 376562787 /nfs/dbraw/zinc/56/27/87/376562787.db2.gz JHEUHXFWGBWDNE-UHFFFAOYSA-N 0 0 255.071 2.026 10 30 CEEERN CN[C@@H](C#N)c1cccc(I)c1 ZINC000306449782 376547535 /nfs/dbraw/zinc/54/75/35/376547535.db2.gz NPLWHJCMJHCZRI-VIFPVBQESA-N 0 0 272.089 2.075 10 30 CEEERN O=C(CC1(O)CCCC1)NC[C@@H]1CCc2nccn2C1 ZINC000328624392 376864847 /nfs/dbraw/zinc/86/48/47/376864847.db2.gz JVCJZDWPBPUXCM-LBPRGKRZSA-N 0 0 277.368 2.097 10 30 CEEERN N#Cc1nc(NCc2cn3ccccc3n2)ccc1[N+](=O)[O-] ZINC000302686372 379423676 /nfs/dbraw/zinc/42/36/76/379423676.db2.gz BEWHUHLJLQQUTG-UHFFFAOYSA-N 0 0 294.274 2.121 10 30 CEEERN C#CCC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000405479785 542270864 /nfs/dbraw/zinc/27/08/64/542270864.db2.gz FOZXTGDBRVDCLI-GHMZBOCLSA-N 0 0 251.326 2.082 10 30 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2.428 10 30 CEEERN CC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000127762560 651307010 /nfs/dbraw/zinc/30/70/10/651307010.db2.gz ZFHHDULBYJPVTO-LLVKDONJSA-N 0 0 273.292 2.272 10 30 CEEERN C[C@@H](O)c1ccn(Cc2cn3ccccc3c2C#N)n1 ZINC000128668882 651534987 /nfs/dbraw/zinc/53/49/87/651534987.db2.gz UAPVEUPIVHALOE-LLVKDONJSA-N 0 0 266.304 2.109 10 30 CEEERN Cc1cc(Br)c2nc(CC#N)cn2c1 ZINC000082693912 178188035 /nfs/dbraw/zinc/18/80/35/178188035.db2.gz OHNJEADSIKQUKN-UHFFFAOYSA-N 0 0 250.099 2.471 10 30 CEEERN C#C[C@H](O)c1cc(OC)c(OC)cc1Br ZINC000083052779 178336322 /nfs/dbraw/zinc/33/63/22/178336322.db2.gz RTSACZNMNGNGKB-VIFPVBQESA-N 0 0 271.110 2.133 10 30 CEEERN C=CCCO[C@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125660592 365682902 /nfs/dbraw/zinc/68/29/02/365682902.db2.gz ILIKZKMLMRVNQI-GFCCVEGCSA-N 0 0 277.368 2.097 10 30 CEEERN C=C(Br)CNc1ccc(C(N)=O)cc1 ZINC000037680989 361921122 /nfs/dbraw/zinc/92/11/22/361921122.db2.gz IVLPKKMOYMKUCT-UHFFFAOYSA-N 0 0 255.115 2.106 10 30 CEEERN FC(F)C(F)(F)c1n[nH]c(=S)n1CC(F)(F)F ZINC000725265538 539213190 /nfs/dbraw/zinc/21/31/90/539213190.db2.gz OFPAIMNVYHRVNJ-UHFFFAOYSA-N 0 0 283.172 2.486 10 30 CEEERN Cc1nccn1C[C@H]1CCCN1C(=O)C#Cc1ccccc1 ZINC000177136278 282215705 /nfs/dbraw/zinc/21/57/05/282215705.db2.gz YPWTVHKIWUQYNQ-QGZVFWFLSA-N 0 0 293.370 2.234 10 30 CEEERN O=CCc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000014985933 343368590 /nfs/dbraw/zinc/36/85/90/343368590.db2.gz DAKCHEYGKGCSKM-UHFFFAOYSA-N 0 0 289.041 2.007 10 30 CEEERN CCc1cccc(CC)c1NC(=O)N/C=N/N(C)C ZINC000038816523 343434795 /nfs/dbraw/zinc/43/47/95/343434795.db2.gz VYEYUKSZULGYQW-UHFFFAOYSA-N 0 0 262.357 2.438 10 30 CEEERN O=C[C@@H]1CCCN(Cc2ccc(Br)o2)C1 ZINC000054236851 343586846 /nfs/dbraw/zinc/58/68/46/343586846.db2.gz QQQZZROANQZKOI-SECBINFHSA-N 0 0 272.142 2.453 10 30 CEEERN C#C[C@H](N)c1ncc(Br)cc1Br ZINC000133285131 344368197 /nfs/dbraw/zinc/36/81/97/344368197.db2.gz OJFMEVRCNHALFQ-ZETCQYMHSA-N 0 0 289.958 2.240 10 30 CEEERN O=C(CS)Nc1ccc(F)c(Br)c1 ZINC000135110319 344380056 /nfs/dbraw/zinc/38/00/56/344380056.db2.gz WWJGODSFISVSGC-UHFFFAOYSA-N 0 0 264.119 2.457 10 30 CEEERN C=C(Br)CNc1ccc(N)cc1C#N ZINC000135537197 344382051 /nfs/dbraw/zinc/38/20/51/344382051.db2.gz BKGCLWXNCBQOBU-UHFFFAOYSA-N 0 0 252.115 2.461 10 30 CEEERN C[C@H]1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1 ZINC000144306274 344407272 /nfs/dbraw/zinc/40/72/72/344407272.db2.gz LCVAMCWKYDWEFZ-AWEZNQCLSA-N 0 0 292.338 2.233 10 30 CEEERN CCC[C@H](O)CCOS(=O)(=O)c1ccc(C)cc1 ZINC000149930595 344415955 /nfs/dbraw/zinc/41/59/55/344415955.db2.gz QSYANYPKPQOLEE-LBPRGKRZSA-N 0 0 272.366 2.251 10 30 CEEERN Cc1ccc(Br)c(-n2ncc(C#N)c2N)c1 ZINC000150326396 344417752 /nfs/dbraw/zinc/41/77/52/344417752.db2.gz DKHVFUROQDSKSR-UHFFFAOYSA-N 0 0 277.125 2.397 10 30 CEEERN Cc1cc(N(CC#N)CC#N)ncc1Br ZINC000166268025 344475881 /nfs/dbraw/zinc/47/58/81/344475881.db2.gz RLIHPKKZGMXVCQ-UHFFFAOYSA-N 0 0 265.114 2.006 10 30 CEEERN CC(C)(C)OC(=O)N[C@H](CO)c1ccc(C#N)cc1 ZINC000208211848 344529520 /nfs/dbraw/zinc/52/95/20/344529520.db2.gz VIZUUEVQJSKTFW-GFCCVEGCSA-N 0 0 262.309 2.116 10 30 CEEERN COc1cccc2c1CCC[C@@H]2COS(C)(=O)=O ZINC000222064025 344540216 /nfs/dbraw/zinc/54/02/16/344540216.db2.gz HMSGHDKBRDQTSF-SNVBAGLBSA-N 0 0 270.350 2.091 10 30 CEEERN C#CCN[C@@H](C#N)c1sccc1Br ZINC000228007584 344558144 /nfs/dbraw/zinc/55/81/44/344558144.db2.gz YGQBIQBEVVQNPM-QMMMGPOBSA-N 0 0 255.140 2.298 10 30 CEEERN C#CCC(=O)Nc1ccc(I)cc1 ZINC000236192411 344594583 /nfs/dbraw/zinc/59/45/83/344594583.db2.gz FYVXVYIHPCLEFC-UHFFFAOYSA-N 0 0 285.084 2.253 10 30 CEEERN C#C[C@H](NC)c1ccc(F)cc1I ZINC000234393016 344584029 /nfs/dbraw/zinc/58/40/29/344584029.db2.gz MLECKPUAIXLTEP-JTQLQIEISA-N 0 0 289.091 2.324 10 30 CEEERN C[C@@H](O)c1ccccc1NC(=O)C#CBr ZINC000307244628 344721368 /nfs/dbraw/zinc/72/13/68/344721368.db2.gz LJNNRTCUPAEFJC-MRVPVSSYSA-N 0 0 268.110 2.034 10 30 CEEERN CCc1nc(C#N)cc(N[C@@H](C)c2ncc(C)o2)n1 ZINC000308171928 344726465 /nfs/dbraw/zinc/72/64/65/344726465.db2.gz UCODMFPOSVEDRM-VIFPVBQESA-N 0 0 257.297 2.380 10 30 CEEERN C=C(Br)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000306492995 344713838 /nfs/dbraw/zinc/71/38/38/344713838.db2.gz YIOPUXQMJVDUKU-BDAKNGLRSA-N 0 0 256.147 2.387 10 30 CEEERN O=C(CC1(O)CCCCC1)NC[C@@H]1CCn2ccnc2C1 ZINC000328632453 344757560 /nfs/dbraw/zinc/75/75/60/344757560.db2.gz RWLIARXUIDYGJR-CYBMUJFWSA-N 0 0 291.395 2.487 10 30 CEEERN Cc1occc1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328646025 344757704 /nfs/dbraw/zinc/75/77/04/344757704.db2.gz ZXUUYTVYHZUUCN-LLVKDONJSA-N 0 0 259.309 2.352 10 30 CEEERN CCc1ncsc1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328619126 344755785 /nfs/dbraw/zinc/75/57/85/344755785.db2.gz FMQYRIHFVSJDOB-SNVBAGLBSA-N 0 0 290.392 2.469 10 30 CEEERN Cc1nc2c(s1)CCC[C@@H]2CNC(=O)Cn1ccnn1 ZINC000328626438 344756616 /nfs/dbraw/zinc/75/66/16/344756616.db2.gz LRHCXTNUVUBYQP-SNVBAGLBSA-N 0 0 291.380 2.120 10 30 CEEERN COC(=O)C(=O)c1ccccc1C#C[Si](C)(C)C ZINC000584595568 344961107 /nfs/dbraw/zinc/96/11/07/344961107.db2.gz KREHINRQMQTYJA-UHFFFAOYSA-N 0 0 260.365 2.271 10 30 CEEERN C=CCCOc1cc(=O)n(C)cc1Br ZINC000584621741 344966883 /nfs/dbraw/zinc/96/68/83/344966883.db2.gz CSAUXDCZMYWMDM-UHFFFAOYSA-N 0 0 258.115 2.103 10 30 CEEERN C=CCC(=O)NC[C@@H]1Cc2cc(OC)c(OC)cc21 ZINC000584631263 344970070 /nfs/dbraw/zinc/97/00/70/344970070.db2.gz JAUNIONESGGPMF-NSHDSACASA-N 0 0 261.321 2.036 10 30 CEEERN C=CCNC(=O)c1cc(Br)c(CCC)[nH]c1=O ZINC000584633301 344970432 /nfs/dbraw/zinc/97/04/32/344970432.db2.gz ZZTWACDBOJKYEH-UHFFFAOYSA-N 0 0 299.168 2.418 10 30 CEEERN CC[C@@H](C=O)[C@H](C[N+](=O)[O-])c1cccc(OC)c1 ZINC000584654270 344974356 /nfs/dbraw/zinc/97/43/56/344974356.db2.gz VDNIZTXBBTVPAD-GWCFXTLKSA-N 0 0 251.282 2.281 10 30 CEEERN N#Cc1ccc(N[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000589562000 345086420 /nfs/dbraw/zinc/08/64/20/345086420.db2.gz RTXPSWDVSAYJQG-PWSUYJOCSA-N 0 0 261.281 2.182 10 30 CEEERN Cc1ccccc1S(=O)(=O)Cc1cccnc1C#N ZINC000084253304 178832496 /nfs/dbraw/zinc/83/24/96/178832496.db2.gz DJVRZUZCMLRCFF-UHFFFAOYSA-N 0 0 272.329 2.236 10 30 CEEERN Cc1cccc(C[S@@](=O)CCC(=O)N(C)CCC#N)c1 ZINC000084256622 178832712 /nfs/dbraw/zinc/83/27/12/178832712.db2.gz NHCVGQMBYAYHEJ-HXUWFJFHSA-N 0 0 292.404 2.006 10 30 CEEERN CC[C@@H](C)[S@](=O)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000084261249 178834244 /nfs/dbraw/zinc/83/42/44/178834244.db2.gz ZUNCRZMATGUZHW-RMDKCXRXSA-N 0 0 278.377 2.432 10 30 CEEERN CN[C@@](C)(C#N)C[C@H](C)N(CC(F)(F)F)C1CC1 ZINC000084293164 178845510 /nfs/dbraw/zinc/84/55/10/178845510.db2.gz UFHMBLKZYDRXLE-GXSJLCMTSA-N 0 0 263.307 2.293 10 30 CEEERN COCc1nn(-c2ccc(C#N)cc2)c(Cl)c1[N+](=O)[O-] ZINC000097100104 185530560 /nfs/dbraw/zinc/53/05/60/185530560.db2.gz NBRGURJNNZIOJG-UHFFFAOYSA-N 0 0 292.682 2.452 10 30 CEEERN COCCn1cc(Nc2cc(C)nc(C)c2C#N)cn1 ZINC000133755663 232212979 /nfs/dbraw/zinc/21/29/79/232212979.db2.gz HIZCXJAPUOBGMR-UHFFFAOYSA-N 0 0 271.324 2.157 10 30 CEEERN N#Cc1ccc(NC(=O)c2ccc(F)c(F)c2)cn1 ZINC000084669818 178912163 /nfs/dbraw/zinc/91/21/63/178912163.db2.gz AOGBCHVRZBXENL-UHFFFAOYSA-N 0 0 259.215 2.484 10 30 CEEERN CN(C)c1nccc(N(C)c2ccc(C#N)cc2)n1 ZINC000085436968 179063445 /nfs/dbraw/zinc/06/34/45/179063445.db2.gz GOFXWRDSOHCITG-UHFFFAOYSA-N 0 0 253.309 2.182 10 30 CEEERN C=CCCOc1ncncc1I ZINC000085470235 179075234 /nfs/dbraw/zinc/07/52/34/179075234.db2.gz VZBITFLCXZRTRE-UHFFFAOYSA-N 0 0 276.077 2.036 10 30 CEEERN N#Cc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000100647173 185721452 /nfs/dbraw/zinc/72/14/52/185721452.db2.gz OJYKIXUVEHLSSU-STQMWFEESA-N 0 0 254.289 2.238 10 30 CEEERN C[C@@H](C#N)N1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000109463574 136555675 /nfs/dbraw/zinc/55/56/75/136555675.db2.gz OUBRUKUEXUYQMN-NSHDSACASA-N 0 0 274.755 2.246 10 30 CEEERN C=CCN1C(=O)C2(CCCC2)NC(=O)C12CCCCC2 ZINC000085756937 179149824 /nfs/dbraw/zinc/14/98/24/179149824.db2.gz UPKBQHIEHKAMEK-UHFFFAOYSA-N 0 0 276.380 2.147 10 30 CEEERN C=CCN1C(=O)C2(CCCCC2)NC(=O)C1(CC)CC ZINC000085758378 179150652 /nfs/dbraw/zinc/15/06/52/179150652.db2.gz MEJJEPHEZHEYJQ-UHFFFAOYSA-N 0 0 278.396 2.393 10 30 CEEERN C=CCN1C(=O)[C@H](c2ccccc2)NC(=O)[C@@]1(C)C1CC1 ZINC000085759438 179152026 /nfs/dbraw/zinc/15/20/26/179152026.db2.gz QLZXJCOHQSDKHL-WMLDXEAASA-N 0 0 284.359 2.041 10 30 CEEERN C=CCN1C(=O)[C@@H](C2CCCCC2)NC(=O)[C@]1(C)CC ZINC000085776322 179159719 /nfs/dbraw/zinc/15/97/19/179159719.db2.gz OMTXVBMNVZSQGC-CJNGLKHVSA-N 0 0 278.396 2.248 10 30 CEEERN CC[C@@](C)(CO)Nc1c(C#N)nnc2ccccc21 ZINC000085920651 179200113 /nfs/dbraw/zinc/20/01/13/179200113.db2.gz TVFGVDKDLLBTRO-AWEZNQCLSA-N 0 0 256.309 2.074 10 30 CEEERN C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CCO)s1 ZINC000086081083 179227267 /nfs/dbraw/zinc/22/72/67/179227267.db2.gz ZVZUPJZATPCUND-LOWVWBTDSA-N 0 0 277.389 2.256 10 30 CEEERN C[C@@H]1CC[C@H](NC(=O)c2sccc2C#CCO)[C@@H]1C ZINC000086081098 179227756 /nfs/dbraw/zinc/22/77/56/179227756.db2.gz PRDZJNPAAAOSDR-WZRBSPASSA-N 0 0 277.389 2.256 10 30 CEEERN CCN[C@@H](C#N)CCSc1nc(C)c(C)c(C)n1 ZINC000086644627 179315945 /nfs/dbraw/zinc/31/59/45/179315945.db2.gz KHVQBAXGYAGHKF-GFCCVEGCSA-N 0 0 264.398 2.386 10 30 CEEERN CCn1c2ccc(C#N)cc2nc1-c1cnn(C)c1 ZINC000086635758 179314880 /nfs/dbraw/zinc/31/48/80/179314880.db2.gz MAFKKWPDJLUINY-UHFFFAOYSA-N 0 0 251.293 2.328 10 30 CEEERN Cc1nc(SC[C@H](C#N)NC(C)C)nc(C)c1C ZINC000086644593 179315706 /nfs/dbraw/zinc/31/57/06/179315706.db2.gz DGFZCCWLWVYSLX-LBPRGKRZSA-N 0 0 264.398 2.384 10 30 CEEERN CCN[C@@]1(C#N)CC[C@H](n2cc(Br)cn2)C1 ZINC000086623175 179311526 /nfs/dbraw/zinc/31/15/26/179311526.db2.gz JICLQOKECBRLNJ-QWRGUYRKSA-N 0 0 283.173 2.242 10 30 CEEERN N#Cc1cc(N[C@@H]2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000613268864 348013381 /nfs/dbraw/zinc/01/33/81/348013381.db2.gz LTXJDVHGCYQSMT-ZYHUDNBSSA-N 0 0 261.281 2.182 10 30 CEEERN CC(C)[C@@H](C#N)NC(=O)c1c(F)cc(F)cc1F ZINC000086996800 179377495 /nfs/dbraw/zinc/37/74/95/179377495.db2.gz SUVAAMAXFPEZET-SNVBAGLBSA-N 0 0 256.227 2.382 10 30 CEEERN C=CCNc1nc2c(Br)cccn2n1 ZINC000087102209 179394607 /nfs/dbraw/zinc/39/46/07/179394607.db2.gz ROCXLULGLAVIEZ-UHFFFAOYSA-N 0 0 253.103 2.090 10 30 CEEERN Cc1ccc(C#CCO)cc1C(=O)N[C@@H](C)CC1CC1 ZINC000087746390 179480437 /nfs/dbraw/zinc/48/04/37/179480437.db2.gz GADQXHDAVHRFCG-ZDUSSCGKSA-N 0 0 271.360 2.257 10 30 CEEERN CC(C)(C#N)CCCS(=O)(=O)c1ccccc1N ZINC000087607063 179453377 /nfs/dbraw/zinc/45/33/77/179453377.db2.gz KAIGMBNYOPUYCX-UHFFFAOYSA-N 0 0 266.366 2.372 10 30 CEEERN CCN(C[C@@H](C)C#N)c1ncnc2cc(N)ccc21 ZINC000087820687 179493044 /nfs/dbraw/zinc/49/30/44/179493044.db2.gz QZBOJTBCCVANRS-JTQLQIEISA-N 0 0 255.325 2.198 10 30 CEEERN CC[C@H](C)N(C)C(=O)c1cccc(C#CCO)c1C ZINC000088443128 179603294 /nfs/dbraw/zinc/60/32/94/179603294.db2.gz NEVFGUQCEKRTFS-LBPRGKRZSA-N 0 0 259.349 2.209 10 30 CEEERN CCCN(CC)C(=O)c1cccc(C#CCO)c1C ZINC000088443153 179603450 /nfs/dbraw/zinc/60/34/50/179603450.db2.gz LSXUOWUEOLSXQO-UHFFFAOYSA-N 0 0 259.349 2.211 10 30 CEEERN Cc1cc(COc2ccccc2C#CCCO)n(C)n1 ZINC000089201506 179752954 /nfs/dbraw/zinc/75/29/54/179752954.db2.gz VXLBZZMIJYQAIN-UHFFFAOYSA-N 0 0 270.332 2.041 10 30 CEEERN COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C(=O)[O-])cc1C#N ZINC000089443151 179790667 /nfs/dbraw/zinc/79/06/67/179790667.db2.gz LSPBPXDKJGDVGE-OCCSQVGLSA-N 0 0 288.347 2.157 10 30 CEEERN N#CC1(C(=O)NC[C@@H]2CCC[C@@H]2CO)CCCCCC1 ZINC000089502004 179805367 /nfs/dbraw/zinc/80/53/67/179805367.db2.gz SURZRLCUJQHQBG-UONOGXRCSA-N 0 0 278.396 2.375 10 30 CEEERN CCCNC(=O)COc1cccc(Cl)c1C#N ZINC000090713960 180028490 /nfs/dbraw/zinc/02/84/90/180028490.db2.gz GTSKNWSBLCIMRW-UHFFFAOYSA-N 0 0 252.701 2.117 10 30 CEEERN N#Cc1c(Cl)cccc1OCC(=O)NCC(F)(F)F ZINC000090714168 180028774 /nfs/dbraw/zinc/02/87/74/180028774.db2.gz SUWJYKSWSLBKHY-UHFFFAOYSA-N 0 0 292.644 2.269 10 30 CEEERN O=C(NCC#CCOc1ccc(F)cc1F)c1ccoc1 ZINC000090732615 180033526 /nfs/dbraw/zinc/03/35/26/180033526.db2.gz YOJWRFGTHMILKO-UHFFFAOYSA-N 0 0 291.253 2.370 10 30 CEEERN CC(C)(C)CC(=O)NCC#CCOc1cccnc1 ZINC000090733970 180033696 /nfs/dbraw/zinc/03/36/96/180033696.db2.gz ZJRDNWWNOSNPGU-UHFFFAOYSA-N 0 0 260.337 2.016 10 30 CEEERN C[C@H](C/C(N)=N/O)N(C)C(=O)C[C@H](C)C(C)(C)C ZINC000104447970 186005677 /nfs/dbraw/zinc/00/56/77/186005677.db2.gz CPDADGMAYGFQBA-VHSXEESVSA-N 0 0 257.378 2.042 10 30 CEEERN CN(C)C(=O)C[C@@H](C#N)Nc1ccc(Cl)cc1 ZINC000091322474 180134775 /nfs/dbraw/zinc/13/47/75/180134775.db2.gz GVDRFHKZQGJIRQ-NSHDSACASA-N 0 0 251.717 2.122 10 30 CEEERN COc1cccc(S(=O)(=O)[C@]2(C#N)CC[C@H]2C)c1 ZINC000091328154 180135840 /nfs/dbraw/zinc/13/58/40/180135840.db2.gz YBBPSRCHOQSBQZ-MFKMUULPSA-N 0 0 265.334 2.161 10 30 CEEERN CC(=O)[C@@](C#N)(Cc1cnn(C)c1)c1ccccc1 ZINC000091327475 180135997 /nfs/dbraw/zinc/13/59/97/180135997.db2.gz LHJJVMLNWAIDSR-HNNXBMFYSA-N 0 0 253.305 2.013 10 30 CEEERN CCCN[C@@](C#N)(CSC[C@@H](C)CO)C1CC1 ZINC000091258168 180115262 /nfs/dbraw/zinc/11/52/62/180115262.db2.gz AMVHRJBTWZEQDY-AAEUAGOBSA-N 0 0 256.415 2.020 10 30 CEEERN CCN[C@@](C)(C#N)CCCCSC[C@H](C)CO ZINC000091258274 180115538 /nfs/dbraw/zinc/11/55/38/180115538.db2.gz FYDUXFDHMHXKSD-CHWSQXEVSA-N 0 0 258.431 2.410 10 30 CEEERN CN[C@@](C#N)(CS[C@@H](C)CCO)c1ccccc1 ZINC000091266513 180117081 /nfs/dbraw/zinc/11/70/81/180117081.db2.gz RLSJNUYUXHPRTN-JSGCOSHPSA-N 0 0 264.394 2.129 10 30 CEEERN CCN(C(=O)c1ccncc1C#CCO)c1ccccc1 ZINC000091457545 180161134 /nfs/dbraw/zinc/16/11/34/180161134.db2.gz OBBMQLQYMUYICF-UHFFFAOYSA-N 0 0 280.327 2.092 10 30 CEEERN Cc1ccc(NC(=O)c2ccncc2C#CCO)cc1C ZINC000091457546 180161173 /nfs/dbraw/zinc/16/11/73/180161173.db2.gz HWZYKJFXAUNPMM-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN CN(CC1CC(O)C1)c1ccc(Cl)cc1C#N ZINC000091463665 180162609 /nfs/dbraw/zinc/16/26/09/180162609.db2.gz SXLQGHOFKQXPBT-UHFFFAOYSA-N 0 0 250.729 2.419 10 30 CEEERN CSC1(C#N)CCN(CC(=O)Nc2ccccc2)CC1 ZINC000091471073 180164785 /nfs/dbraw/zinc/16/47/85/180164785.db2.gz ZAWVYMSUZXIMRY-UHFFFAOYSA-N 0 0 289.404 2.346 10 30 CEEERN CCCc1nn(C)c(N(CC)C[C@H](C)C#N)c1[N+](=O)[O-] ZINC000091562449 180192895 /nfs/dbraw/zinc/19/28/95/180192895.db2.gz TZSIGMNMAPMPJU-SNVBAGLBSA-N 0 0 279.344 2.267 10 30 CEEERN Cc1cc(SCC(=O)N(C)CCC#N)ccc1N ZINC000091939158 180289363 /nfs/dbraw/zinc/28/93/63/180289363.db2.gz VKCPXYFLXOOQTR-UHFFFAOYSA-N 0 0 263.366 2.041 10 30 CEEERN CCN(CC)C(=O)Nc1ccc(F)cc1C#CCO ZINC000091962263 180293311 /nfs/dbraw/zinc/29/33/11/180293311.db2.gz MNAMUHYTYBTBMG-UHFFFAOYSA-N 0 0 264.300 2.043 10 30 CEEERN C[C@@](O)(c1cccc(Cl)c1)[C@@]1(C#N)CCOC1 ZINC000091877734 180279059 /nfs/dbraw/zinc/27/90/59/180279059.db2.gz OYXWDYGFCRYGAY-CHWSQXEVSA-N 0 0 251.713 2.478 10 30 CEEERN CC(C)Oc1ccc([C@@H](O)[C@@]2(C#N)CCOC2)cc1 ZINC000091879411 180279446 /nfs/dbraw/zinc/27/94/46/180279446.db2.gz QOTCXXORWCXGJV-HUUCEWRRSA-N 0 0 261.321 2.437 10 30 CEEERN CSCC[C@@H](O)[C@@]1(C#N)COc2ccccc2C1 ZINC000091884735 180280142 /nfs/dbraw/zinc/28/01/42/180280142.db2.gz CGDDKGDPFSQVKM-KGLIPLIRSA-N 0 0 263.362 2.245 10 30 CEEERN N#CC1([C@]2(O)CCCOCC2)Cc2ccccc2C1 ZINC000091903154 180282853 /nfs/dbraw/zinc/28/28/53/180282853.db2.gz ZGYUUMYAICOEGV-INIZCTEOSA-N 0 0 257.333 2.227 10 30 CEEERN Cc1ccc(NC(=O)N2CCCC2)cc1C#CCCO ZINC000091968666 180294763 /nfs/dbraw/zinc/29/47/63/180294763.db2.gz FWPBIPXWRPWVKW-UHFFFAOYSA-N 0 0 272.348 2.357 10 30 CEEERN O=C(Nc1cccc(C#CCO)c1)N1CCCCC1 ZINC000091969622 180295160 /nfs/dbraw/zinc/29/51/60/180295160.db2.gz SFCRPHRSEXLHCA-UHFFFAOYSA-N 0 0 258.321 2.048 10 30 CEEERN CN(Cc1cc(C#CCO)cs1)C(=O)N1CCCCC1 ZINC000091969658 180295218 /nfs/dbraw/zinc/29/52/18/180295218.db2.gz ATYKCDXJNPQIGX-UHFFFAOYSA-N 0 0 292.404 2.130 10 30 CEEERN C[C@@H]1CCCN(C(=O)NCc2ccc(C#CCO)s2)C1 ZINC000091992369 180300370 /nfs/dbraw/zinc/30/03/70/180300370.db2.gz YYKGWCGFMXYHBN-GFCCVEGCSA-N 0 0 292.404 2.033 10 30 CEEERN Cc1ccc(OCc2ccccc2C#N)c(CO)n1 ZINC000091998499 180303044 /nfs/dbraw/zinc/30/30/44/180303044.db2.gz HHEFETVRDWGYLU-UHFFFAOYSA-N 0 0 254.289 2.333 10 30 CEEERN C=CCNC(=O)[C@H](C)Oc1cccc2c1CCC[C@@H]2O ZINC000105869430 186081208 /nfs/dbraw/zinc/08/12/08/186081208.db2.gz ONUHBNZTVACCCT-FZMZJTMJSA-N 0 0 275.348 2.126 10 30 CEEERN Cc1cnn([C@@H]2CCCN(C(=O)C3(C#N)CCCC3)C2)c1 ZINC000105858404 186079546 /nfs/dbraw/zinc/07/95/46/186079546.db2.gz VAACBLLZGKXWED-CQSZACIVSA-N 0 0 286.379 2.439 10 30 CEEERN Cc1cc(NC(=O)c2ccc(C#CCO)cc2F)ccn1 ZINC000092365890 180368993 /nfs/dbraw/zinc/36/89/93/180368993.db2.gz YLUQQYLWTYDIGV-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN C=CCN[C@]1(C(=O)OC)CCCc2ccc(OC)cc21 ZINC000092387028 180374467 /nfs/dbraw/zinc/37/44/67/180374467.db2.gz QGFLWVFJKOXXGH-MRXNPFEDSA-N 0 0 275.348 2.175 10 30 CEEERN C=CCn1cnc(-c2ccc(OC)cc2OC)c1N ZINC000106832168 186137847 /nfs/dbraw/zinc/13/78/47/186137847.db2.gz LZZFMZZAIZPGFA-UHFFFAOYSA-N 0 0 259.309 2.336 10 30 CEEERN C=CCNCc1nc([C@@H]2COc3ccccc3C2)no1 ZINC000092465066 180391235 /nfs/dbraw/zinc/39/12/35/180391235.db2.gz WYCHKZSNSPQUCA-LBPRGKRZSA-N 0 0 271.320 2.064 10 30 CEEERN Cc1cccc(COc2ccc(C#CCO)cc2)n1 ZINC000092431725 180384583 /nfs/dbraw/zinc/38/45/83/180384583.db2.gz BKYBUCGFFIRSGW-UHFFFAOYSA-N 0 0 253.301 2.313 10 30 CEEERN Cc1ccnc2c1nc(N)n2-c1cccc(F)c1C#N ZINC000092550344 180404292 /nfs/dbraw/zinc/40/42/92/180404292.db2.gz YNRVYNUHPDLCJP-UHFFFAOYSA-N 0 0 267.267 2.322 10 30 CEEERN C#CCN(CCC)S(=O)(=O)c1ccc(F)cc1C ZINC000108920237 186235670 /nfs/dbraw/zinc/23/56/70/186235670.db2.gz MRVLJOBBZXVBBO-UHFFFAOYSA-N 0 0 269.341 2.168 10 30 CEEERN CCNC(=O)c1ccc(N)c(N(CCC#N)CC(C)C)c1 ZINC000109537632 186260791 /nfs/dbraw/zinc/26/07/91/186260791.db2.gz ZUIBVDOIKLJUAU-UHFFFAOYSA-N 0 0 288.395 2.395 10 30 CEEERN CCC[C@H](C#N)N1CCN(C(=O)CCC(C)C)CC1 ZINC000109447094 186252918 /nfs/dbraw/zinc/25/29/18/186252918.db2.gz UFLNNTRGKIFIBK-CQSZACIVSA-N 0 0 265.401 2.259 10 30 CEEERN CCC[C@@H](C#N)N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000109457418 186253677 /nfs/dbraw/zinc/25/36/77/186253677.db2.gz HOGDFCBZJBZVJD-AWEZNQCLSA-N 0 0 276.384 2.101 10 30 CEEERN Cc1ccc(C#N)c(NC2CCN(CC#N)CC2)c1 ZINC000110824821 186327920 /nfs/dbraw/zinc/32/79/20/186327920.db2.gz FKQATYHSHYIKEV-UHFFFAOYSA-N 0 0 254.337 2.267 10 30 CEEERN C=CCCC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110878505 186330903 /nfs/dbraw/zinc/33/09/03/186330903.db2.gz RVVNFJOINNYWII-JTQLQIEISA-N 0 0 252.339 2.009 10 30 CEEERN CC[C@H]1CN(C(=O)C2(C#N)CCCCCC2)CCN1C ZINC000110748930 186320611 /nfs/dbraw/zinc/32/06/11/186320611.db2.gz RJNCLXGLEYKJTB-AWEZNQCLSA-N 0 0 277.412 2.403 10 30 CEEERN N#Cc1ccccc1NC(=O)CSc1ccncn1 ZINC000111114197 186353361 /nfs/dbraw/zinc/35/33/61/186353361.db2.gz SWEOEIYJRIAIFM-UHFFFAOYSA-N 0 0 270.317 2.079 10 30 CEEERN COC(CNc1cccc(OCCCC#N)c1)OC ZINC000111112844 186353531 /nfs/dbraw/zinc/35/35/31/186353531.db2.gz CUSKDQBNMPYJIH-UHFFFAOYSA-N 0 0 264.325 2.400 10 30 CEEERN OCC#Cc1ccccc1CSc1ccncn1 ZINC000111115049 186353983 /nfs/dbraw/zinc/35/39/83/186353983.db2.gz DLPSAHMZAMAOGW-UHFFFAOYSA-N 0 0 256.330 2.113 10 30 CEEERN CN(C[C@@H]1CCCOC1)C(=O)[C@H](C#N)c1ccccc1 ZINC000111175936 186365438 /nfs/dbraw/zinc/36/54/38/186365438.db2.gz XDLORLLCIITXAG-DZGCQCFKSA-N 0 0 272.348 2.179 10 30 CEEERN N#Cc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)nc1 ZINC000111276217 186386366 /nfs/dbraw/zinc/38/63/66/186386366.db2.gz YYDASCRUCQSOKK-UHTWSYAYSA-N 0 0 255.321 2.119 10 30 CEEERN N#Cc1ccc(C(=O)Nc2c(N)cccc2Cl)nc1 ZINC000111280639 186388290 /nfs/dbraw/zinc/38/82/90/186388290.db2.gz MOAKTBKIVYLLRJ-UHFFFAOYSA-N 0 0 272.695 2.441 10 30 CEEERN N#Cc1ccc(-c2nnc([C@@H](N)c3ccccc3)o2)nc1 ZINC000111284326 186389791 /nfs/dbraw/zinc/38/97/91/186389791.db2.gz PSTOTHMTUQBILC-ZDUSSCGKSA-N 0 0 277.287 2.051 10 30 CEEERN C[C@@H]1CCCCN1C(=O)c1sccc1C#CCCO ZINC000111530662 186426337 /nfs/dbraw/zinc/42/63/37/186426337.db2.gz GWNNZOYZDSIBNV-GFCCVEGCSA-N 0 0 277.389 2.497 10 30 CEEERN CCCN(CC(=O)OC)c1ccc(F)cc1C#N ZINC000111727368 186449963 /nfs/dbraw/zinc/44/99/63/186449963.db2.gz QISMGIMBLQNINT-UHFFFAOYSA-N 0 0 250.273 2.087 10 30 CEEERN N#Cc1c(F)cccc1Oc1cc(C(N)=O)ccc1N ZINC000112790030 186532789 /nfs/dbraw/zinc/53/27/89/186532789.db2.gz GSLWJZSQMFPITG-UHFFFAOYSA-N 0 0 271.251 2.171 10 30 CEEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000123579151 187098995 /nfs/dbraw/zinc/09/89/95/187098995.db2.gz AHSRNHDVQVIDKF-AWEZNQCLSA-N 0 0 294.358 2.230 10 30 CEEERN C#CCSCCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000153745303 188100548 /nfs/dbraw/zinc/10/05/48/188100548.db2.gz BYTFOXOAQQZAIQ-LLVKDONJSA-N 0 0 266.366 2.315 10 30 CEEERN CCc1nnc(CN[C@H](C)c2ccc(C#N)cc2)n1C ZINC000271671171 191268839 /nfs/dbraw/zinc/26/88/39/191268839.db2.gz NJASSSDGSJLLDI-LLVKDONJSA-N 0 0 269.352 2.100 10 30 CEEERN C=CCN(C)C(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000161815272 188546523 /nfs/dbraw/zinc/54/65/23/188546523.db2.gz YRYAJMWHZNFNIG-OAHLLOKOSA-N 0 0 288.391 2.394 10 30 CEEERN Cc1cc(N2CC[NH+](CC3CC3)CC2)c(C#N)c(C)n1 ZINC000133755250 366252022 /nfs/dbraw/zinc/25/20/22/366252022.db2.gz AYADHTIXHGXZOU-UHFFFAOYSA-N 0 0 270.380 2.102 10 30 CEEERN CCOC(=O)c1c(C=O)ccc(C#N)c1OC(F)(F)F ZINC000575390867 366267321 /nfs/dbraw/zinc/26/73/21/366267321.db2.gz HMQYRFDVRCFQNN-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN COC(=O)c1cc(C#N)c(F)cc1OC(F)(F)F ZINC000575390542 366267783 /nfs/dbraw/zinc/26/77/83/366267783.db2.gz VSTAFIWQINYZOX-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)cc(C#N)c1F ZINC000575390452 366267838 /nfs/dbraw/zinc/26/78/38/366267838.db2.gz MPCLXZXQLBFGLY-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN CCOC(=O)c1c(O)cc(OC(F)(F)F)cc1C#N ZINC000575391745 366269908 /nfs/dbraw/zinc/26/99/08/366269908.db2.gz NPWWDHFWWFCIOA-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1C=O ZINC000575391747 366269980 /nfs/dbraw/zinc/26/99/80/366269980.db2.gz RMSTUUUQRZIUOQ-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN COC(=O)Cc1cc(OC)cc(C#N)c1OC(F)(F)F ZINC000575393948 366272849 /nfs/dbraw/zinc/27/28/49/366272849.db2.gz AMDDZKNJQODCLK-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1c(OC)ccc(C(F)(F)F)c1C#N ZINC000575393956 366273096 /nfs/dbraw/zinc/27/30/96/366273096.db2.gz AOYDLWXCVHTKFF-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)c1cc(C#N)cc(OC(F)(F)F)c1OC ZINC000575394487 366273892 /nfs/dbraw/zinc/27/38/92/366273892.db2.gz NGSDGTPQZUXVEE-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)c1cc(OC)c(C#N)c(OC(F)(F)F)c1 ZINC000575394476 366273996 /nfs/dbraw/zinc/27/39/96/366273996.db2.gz MMHNWRNTHPEPQZ-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)c1cc(OC)c(C#N)cc1C(F)(F)F ZINC000575394477 366274110 /nfs/dbraw/zinc/27/41/10/366274110.db2.gz MMSDCXQPLIQYSM-UHFFFAOYSA-N 0 0 259.183 2.372 10 30 CEEERN COC(=O)c1cc(OC(F)(F)F)c([N+](=O)[O-])cc1C#N ZINC000575395855 366276091 /nfs/dbraw/zinc/27/60/91/366276091.db2.gz SJNRTHUYDRUVDQ-UHFFFAOYSA-N 0 0 290.153 2.152 10 30 CEEERN CC(C)(C)OC(=O)NC1(C#N)CCC2(CC1)OCCO2 ZINC000575497470 366292047 /nfs/dbraw/zinc/29/20/47/366292047.db2.gz YADPISVEHROFED-UHFFFAOYSA-N 0 0 282.340 2.091 10 30 CEEERN CC#CCNC(=O)c1ccsc1Br ZINC000575575628 366295946 /nfs/dbraw/zinc/29/59/46/366295946.db2.gz LBAUIOSTLKJYTO-UHFFFAOYSA-N 0 0 258.140 2.264 10 30 CEEERN N#CCc1c(C#N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575641186 366309400 /nfs/dbraw/zinc/30/94/00/366309400.db2.gz NXAMNTXTTCBELF-UHFFFAOYSA-N 0 0 253.164 2.134 10 30 CEEERN C=CCOc1ccc(/C=C/C(=O)NO)cc1OCC ZINC000005420179 361332497 /nfs/dbraw/zinc/33/24/97/361332497.db2.gz BXMZGBMKUHKVDU-SOFGYWHQSA-N 0 0 263.293 2.169 10 30 CEEERN C#CCOc1ccc(CN[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083475906 363775594 /nfs/dbraw/zinc/77/55/94/363775594.db2.gz BTTGWTQSGRKZJP-MRXNPFEDSA-N 0 0 296.374 2.223 10 30 CEEERN Cc1cc(N2CC[C@@](O)(C(F)(F)F)C2)c(C#N)c(C)n1 ZINC000301754476 201179010 /nfs/dbraw/zinc/17/90/10/201179010.db2.gz CNDWVDGPHCLLTO-LBPRGKRZSA-N 0 0 285.269 2.074 10 30 CEEERN Cc1cc(N2CC[C@](O)(C(F)(F)F)C2)c(C#N)c(C)n1 ZINC000301754475 201179016 /nfs/dbraw/zinc/17/90/16/201179016.db2.gz CNDWVDGPHCLLTO-GFCCVEGCSA-N 0 0 285.269 2.074 10 30 CEEERN Cc1cc(Oc2cccc(C(N)=O)c2)c(C#N)c(C)n1 ZINC000301785905 201196479 /nfs/dbraw/zinc/19/64/79/201196479.db2.gz OUCQYAPQSKTQQS-UHFFFAOYSA-N 0 0 267.288 2.461 10 30 CEEERN CCOC[C@@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000301803113 201207118 /nfs/dbraw/zinc/20/71/18/201207118.db2.gz WWOGOTPAZIMRQD-CYBMUJFWSA-N 0 0 259.353 2.433 10 30 CEEERN COc1cccc(OCCNc2ncccc2C#N)c1 ZINC000025498964 361626674 /nfs/dbraw/zinc/62/66/74/361626674.db2.gz GNEAOKMBAWSIJC-UHFFFAOYSA-N 0 0 269.304 2.453 10 30 CEEERN Cc1ccc(C(N)=O)cc1Oc1cccc(C#N)n1 ZINC000301873391 201243047 /nfs/dbraw/zinc/24/30/47/201243047.db2.gz XLNIRBDWIGXDHC-UHFFFAOYSA-N 0 0 253.261 2.153 10 30 CEEERN CC(C)=C1C[C@H]2[C@](O)(CC[C@]2(C)O)C(C)=CC1=O ZINC000027085555 361648936 /nfs/dbraw/zinc/64/89/36/361648936.db2.gz IXQJBPRUTQTCMW-ILXRZTDVSA-N 0 0 250.338 2.134 10 30 biogenic,in-vitro CEEERN C=CCOc1ccc(C(=O)NC[C@H]2CCC[C@H]2O)cc1 ZINC000089159222 363939343 /nfs/dbraw/zinc/93/93/43/363939343.db2.gz MLHRBUCLUPSIKT-UKRRQHHQSA-N 0 0 275.348 2.142 10 30 CEEERN COc1ccsc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000093655744 364210742 /nfs/dbraw/zinc/21/07/42/364210742.db2.gz QNOZRNHIGBMUTM-RKDXNWHRSA-N 0 0 250.323 2.179 10 30 CEEERN C[C@@H]1C[C@@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N ZINC000170818139 367424081 /nfs/dbraw/zinc/42/40/81/367424081.db2.gz SIOVZXJIFJMAAM-MFKMUULPSA-N 0 0 296.374 2.055 10 30 CEEERN CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000019934829 541623856 /nfs/dbraw/zinc/62/38/56/541623856.db2.gz VSKSVCWNTWXBNL-ZDUSSCGKSA-N 0 0 294.196 2.261 10 30 CEEERN C=CCCC[C@@H](C)NC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000245881440 370883062 /nfs/dbraw/zinc/88/30/62/370883062.db2.gz KVYUMIOHOYFHGD-HUUCEWRRSA-N 0 0 297.443 2.093 10 30 CEEERN C[C@@H]1COC[C@H](C)N1C(=O)/C=C/c1ccccc1C#N ZINC000172575784 367778363 /nfs/dbraw/zinc/77/83/63/367778363.db2.gz AKZHOTLHXSQVDK-LZGDYBNZSA-N 0 0 270.332 2.207 10 30 CEEERN C=CCOCCCC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173060437 367866191 /nfs/dbraw/zinc/86/61/91/367866191.db2.gz VHZHAPZWBYYXLL-CQSZACIVSA-N 0 0 277.368 2.066 10 30 CEEERN C=CCOCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000172914386 367841880 /nfs/dbraw/zinc/84/18/80/367841880.db2.gz CRTJGCNSYPUBKY-CYBMUJFWSA-N 0 0 261.321 2.219 10 30 CEEERN C#C[C@H](C)OC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174424367 368021706 /nfs/dbraw/zinc/02/17/06/368021706.db2.gz HFTDJFDSMYFBRF-TUAOUCFPSA-N 0 0 281.352 2.245 10 30 CEEERN C#C[C@@H](C)OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C ZINC000174418438 368021962 /nfs/dbraw/zinc/02/19/62/368021962.db2.gz MWWUHLRCXZTEEK-GHMZBOCLSA-N 0 0 269.341 2.245 10 30 CEEERN C#C[C@@H](C)NC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000186051527 368911540 /nfs/dbraw/zinc/91/15/40/368911540.db2.gz XDEHAIAAVIJLQP-GHMZBOCLSA-N 0 0 276.336 2.086 10 30 CEEERN COc1cc(C#N)ccc1OCc1nnc(C(C)C)n1C ZINC000194649253 370060806 /nfs/dbraw/zinc/06/08/06/370060806.db2.gz JMYUIDWTZKURRG-UHFFFAOYSA-N 0 0 286.335 2.398 10 30 CEEERN CCOc1cc(C#N)ccc1OCc1nnc(C)n1CC ZINC000194672938 370063459 /nfs/dbraw/zinc/06/34/59/370063459.db2.gz SEUMEBBUJMJYOO-UHFFFAOYSA-N 0 0 286.335 2.456 10 30 CEEERN N#Cc1nc(NCC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000236420820 370588317 /nfs/dbraw/zinc/58/83/17/370588317.db2.gz CFXDDXKIGQVQJF-JTQLQIEISA-N 0 0 276.296 2.233 10 30 CEEERN N#CCC[C@H](C#N)CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248170033 371167255 /nfs/dbraw/zinc/16/72/55/371167255.db2.gz UNZXCGMUFSEIPP-ILXRZTDVSA-N 0 0 261.369 2.057 10 30 CEEERN O=c1[nH]c2ccc(N=Cc3ccc(O)cc3)cc2[nH]1 ZINC000254386832 371535521 /nfs/dbraw/zinc/53/55/21/371535521.db2.gz OORANKDSXZXZDD-UHFFFAOYSA-N 0 0 253.261 2.312 10 30 CEEERN Cc1cc(C)c(C=N/N=C2/NC(=O)CS2)cc1C ZINC000263626675 371944475 /nfs/dbraw/zinc/94/44/75/371944475.db2.gz ZDKRBQLDRUFSJM-UHFFFAOYSA-N 0 0 261.350 2.165 10 30 CEEERN CCn1c(C)nnc1COc1cc(F)cc(C#N)c1 ZINC000289609099 376419311 /nfs/dbraw/zinc/41/93/11/376419311.db2.gz KTEWNQDOOQXNDC-UHFFFAOYSA-N 0 0 260.272 2.196 10 30 CEEERN Cc1nc(N2CC[C@H](CCO)C2)c(Cl)cc1C#N ZINC000311158419 376655780 /nfs/dbraw/zinc/65/57/80/376655780.db2.gz XVAXYWRPEKTEQV-SNVBAGLBSA-N 0 0 265.744 2.124 10 30 CEEERN N#Cc1ccc(NC[C@@H](O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000301293873 379248421 /nfs/dbraw/zinc/24/84/21/379248421.db2.gz QRJQHTUFIRIXLO-CQSZACIVSA-N 0 0 275.308 2.429 10 30 CEEERN N#Cc1c(Cl)nsc1NC[C@H]1CCC[C@H]1O ZINC000301380859 379272918 /nfs/dbraw/zinc/27/29/18/379272918.db2.gz YZARQZDTWJYGIZ-HTRCEHHLSA-N 0 0 257.746 2.241 10 30 CEEERN C[C@H](CNc1ccc(F)cc1C#N)N1CCOC[C@@H]1C ZINC000301407658 379276247 /nfs/dbraw/zinc/27/62/47/379276247.db2.gz VWSBGVUVZKEUPW-NEPJUHHUSA-N 0 0 277.343 2.218 10 30 CEEERN Cc1cc(N2CCC(NC(=O)C3CC3)CC2)c(C#N)c(C)n1 ZINC000301777286 379302566 /nfs/dbraw/zinc/30/25/66/379302566.db2.gz LUQZYIJTBDKIFI-UHFFFAOYSA-N 0 0 298.390 2.065 10 30 CEEERN Cc1cccc(NC(=O)CCNc2ccc(C)c(C#N)n2)n1 ZINC000302601547 379404775 /nfs/dbraw/zinc/40/47/75/379404775.db2.gz CGUBRZKMGFEZFG-UHFFFAOYSA-N 0 0 295.346 2.406 10 30 CEEERN Cc1ccc(N2CCO[C@H](c3nccs3)C2)nc1C#N ZINC000302677924 379420862 /nfs/dbraw/zinc/42/08/62/379420862.db2.gz VGYGIZWUYISRLI-LBPRGKRZSA-N 0 0 286.360 2.296 10 30 CEEERN CC(C)(CO)CCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302691247 379425907 /nfs/dbraw/zinc/42/59/07/379425907.db2.gz CMKYVBWDZUVLGE-UHFFFAOYSA-N 0 0 278.312 2.072 10 30 CEEERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)C1=COCCC1 ZINC000405594837 542272302 /nfs/dbraw/zinc/27/23/02/542272302.db2.gz NCAKNORLFQGILY-SECBINFHSA-N 0 0 255.314 2.163 10 30 CEEERN C#CCN(CC(=O)CC1CC1)C(=O)OC(C)(C)C ZINC000405585537 542272342 /nfs/dbraw/zinc/27/23/42/542272342.db2.gz HKRMMINMUVXXJX-UHFFFAOYSA-N 0 0 251.326 2.226 10 30 CEEERN C#CCC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405623649 542273173 /nfs/dbraw/zinc/27/31/73/542273173.db2.gz PPKORSIGPVNLFO-JTQLQIEISA-N 0 0 251.326 2.082 10 30 CEEERN C#CCC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000405949490 542278136 /nfs/dbraw/zinc/27/81/36/542278136.db2.gz RAMCSZRYMJNXRM-LBPRGKRZSA-N 0 0 251.326 2.272 10 30 CEEERN C#CC(=O)[C@]1(C)CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405994163 542280536 /nfs/dbraw/zinc/28/05/36/542280536.db2.gz SIXDHFLETHQWAL-IINYFYTJSA-N 0 0 251.326 2.272 10 30 CEEERN O=C1c2ccc(O)cc2OC/C1=C\c1ccc(O)c(O)c1 ZINC000014690904 285015946 /nfs/dbraw/zinc/01/59/46/285015946.db2.gz 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10 30 CEEERN C=CCN(C)C(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC ZINC000161731829 367108831 /nfs/dbraw/zinc/10/88/31/367108831.db2.gz ZIDKCEHOFFLORV-DZGCQCFKSA-N 0 0 288.391 2.476 10 30 CEEERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)CC ZINC000170730400 367402329 /nfs/dbraw/zinc/40/23/29/367402329.db2.gz WTALCAUFUBVXIC-QWRGUYRKSA-N 0 0 283.372 2.098 10 30 CEEERN C=C(Cl)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503955 367556945 /nfs/dbraw/zinc/55/69/45/367556945.db2.gz HCFZPCXGFYSUCT-LLVKDONJSA-N 0 0 255.749 2.385 10 30 CEEERN C=C(Cl)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503952 367557077 /nfs/dbraw/zinc/55/70/77/367557077.db2.gz HCFZPCXGFYSUCT-NSHDSACASA-N 0 0 255.749 2.385 10 30 CEEERN C=CCCCC(=O)N1CCC[C@H](NC(=O)CCC)C1 ZINC000175511305 368144780 /nfs/dbraw/zinc/14/47/80/368144780.db2.gz KDMQBRYEJXOEEW-ZDUSSCGKSA-N 0 0 266.385 2.250 10 30 CEEERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000175586494 368153421 /nfs/dbraw/zinc/15/34/21/368153421.db2.gz FSRAKZCBYZCMJS-CYBMUJFWSA-N 0 0 297.362 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170794151 /nfs/dbraw/zinc/79/41/51/170794151.db2.gz SMIGMDUFUGXOMB-UHFFFAOYSA-N 0 0 273.292 2.367 10 30 CEEERN CC(C)c1ccc(S(=O)(=O)N2CCC(C=O)CC2)cc1 ZINC000019678430 170837600 /nfs/dbraw/zinc/83/76/00/170837600.db2.gz DUENSKNAMIDGFR-UHFFFAOYSA-N 0 0 295.404 2.410 10 30 CEEERN Cc1csc(Sc2cc(/C(N)=N/O)ccn2)n1 ZINC000019847888 170897083 /nfs/dbraw/zinc/89/70/83/170897083.db2.gz ZVLSTKKLYGEESU-UHFFFAOYSA-N 0 0 266.351 2.092 10 30 CEEERN N#Cc1ccc(NC(=O)Cc2cccc(N)c2)cc1 ZINC000020186246 171049878 /nfs/dbraw/zinc/04/98/78/171049878.db2.gz ISUJXBZHBUUEOZ-UHFFFAOYSA-N 0 0 251.289 2.322 10 30 CEEERN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(CC#N)cc1 ZINC000020363355 171162225 /nfs/dbraw/zinc/16/22/25/171162225.db2.gz STGXBSSBIZAYAE-NEPJUHHUSA-N 0 0 260.337 2.435 10 30 CEEERN C#CCNC(=O)[C@H](C)Nc1cc(Cl)ccc1C ZINC000020367274 171165944 /nfs/dbraw/zinc/16/59/44/171165944.db2.gz SAODYWKEOQDAHQ-JTQLQIEISA-N 0 0 250.729 2.198 10 30 CEEERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000021188298 171299192 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/nfs/dbraw/zinc/74/21/17/174742117.db2.gz MQOGMYJBFCAYJQ-JTQLQIEISA-N 0 0 261.325 2.026 10 30 CEEERN CN(C)c1cccc(C(=O)N(CCC#N)C2CC2)c1 ZINC000042548858 174788998 /nfs/dbraw/zinc/78/89/98/174788998.db2.gz SZETUVDQFUCTCM-UHFFFAOYSA-N 0 0 257.337 2.271 10 30 CEEERN Cc1c2c(I)c[nH]c2ncc1C#N ZINC000044712634 175235705 /nfs/dbraw/zinc/23/57/05/175235705.db2.gz HPXGHWPXUJVFIG-UHFFFAOYSA-N 0 0 283.072 2.348 10 30 CEEERN N#CC1(C(=O)Nc2cccc3ncccc32)CCOCC1 ZINC000044764753 175248548 /nfs/dbraw/zinc/24/85/48/175248548.db2.gz BJVVYUJZKRHQGM-UHFFFAOYSA-N 0 0 281.315 2.494 10 30 CEEERN C[C@@H]1Cc2ccccc2N1C(=O)C1(C#N)CCOCC1 ZINC000044764882 175248725 /nfs/dbraw/zinc/24/87/25/175248725.db2.gz LNXQSFYEHLXSRL-GFCCVEGCSA-N 0 0 270.332 2.285 10 30 CEEERN CN(C(=O)C1(C#N)CCCCCC1)C1CCOCC1 ZINC000044765897 175248954 /nfs/dbraw/zinc/24/89/54/175248954.db2.gz PSSOOOUBDGYEGI-UHFFFAOYSA-N 0 0 264.369 2.488 10 30 CEEERN COC1CCN(C(=O)C2(C#N)CCCCCC2)CC1 ZINC000044765597 175248967 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10 30 CEEERN CC(C)c1nccn1Cc1ccccc1C#CCO ZINC000049619216 519880092 /nfs/dbraw/zinc/88/00/92/519880092.db2.gz BKFKSDVNFQBMTH-UHFFFAOYSA-N 0 0 254.333 2.399 10 30 CEEERN CCCCC(=O)N[C@H](C)c1cccc(C#CCO)c1 ZINC000049588896 519913297 /nfs/dbraw/zinc/91/32/97/519913297.db2.gz XLVNDTYYXZKBDQ-CYBMUJFWSA-N 0 0 259.349 2.398 10 30 CEEERN CCCNc1ccc(C(=O)N(C)CCC#N)cc1[N+](=O)[O-] ZINC000050722407 520141651 /nfs/dbraw/zinc/14/16/51/520141651.db2.gz ANVTVTYAUTXBSC-UHFFFAOYSA-N 0 0 290.323 2.402 10 30 CEEERN CCNc1ccc(Cl)c(C(=O)N(C)C[C@@H](C)C#N)n1 ZINC000050775838 520305971 /nfs/dbraw/zinc/30/59/71/520305971.db2.gz SLSRKIBVDVSFPG-VIFPVBQESA-N 0 0 280.759 2.398 10 30 CEEERN CCNc1ncccc1C(=O)NCc1ccc(C#N)cc1 ZINC000051354904 520374757 /nfs/dbraw/zinc/37/47/57/520374757.db2.gz NEIDGEJJIMWKAV-UHFFFAOYSA-N 0 0 280.331 2.315 10 30 CEEERN CCO[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C12CCOCC2 ZINC000184104102 520552569 /nfs/dbraw/zinc/55/25/69/520552569.db2.gz DIIQTJLLLCEBOR-CABCVRRESA-N 0 0 287.363 2.339 10 30 CEEERN CCOC(=O)CN(C)c1ccc(C#N)cc1Cl ZINC000062791623 520747793 /nfs/dbraw/zinc/74/77/93/520747793.db2.gz JAAFMBPTEIBFRH-UHFFFAOYSA-N 0 0 252.701 2.211 10 30 CEEERN CCN(Cc1cc([N+](=O)[O-])ccc1N)C[C@H](C)C#N ZINC000050817213 521292994 /nfs/dbraw/zinc/29/29/94/521292994.db2.gz DLEYRYHOMWLOJZ-SNVBAGLBSA-N 0 0 262.313 2.159 10 30 CEEERN CCC(CC)C(=O)N(C)Cc1ccc(C#CCO)cc1 ZINC000049588318 521482771 /nfs/dbraw/zinc/48/27/71/521482771.db2.gz BECXNSVRNKYZDF-UHFFFAOYSA-N 0 0 273.376 2.425 10 30 CEEERN CCOc1ccccc1OC[C@@](C#N)(NC)C1CC1 ZINC000069086922 521566407 /nfs/dbraw/zinc/56/64/07/521566407.db2.gz VQJXXWWVDBCIGX-OAHLLOKOSA-N 0 0 260.337 2.356 10 30 CEEERN CC[C@H](C)Oc1cccc(NCC(=O)NCCC#N)c1 ZINC000051780816 521780541 /nfs/dbraw/zinc/78/05/41/521780541.db2.gz VYALNGNGMZICFW-LBPRGKRZSA-N 0 0 275.352 2.306 10 30 CEEERN CC[C@H](C)[C@H](C)NC(=O)c1ccccc1C#CCO ZINC000049105344 521933885 /nfs/dbraw/zinc/93/38/85/521933885.db2.gz BHCRQDZFYRWWFU-STQMWFEESA-N 0 0 259.349 2.195 10 30 CEEERN CC[C@H](CC1CC1)NC(=O)c1ccc(C#CCO)cc1F ZINC000070108687 522118856 /nfs/dbraw/zinc/11/88/56/522118856.db2.gz FXJOEKKKNJULTR-CQSZACIVSA-N 0 0 289.350 2.478 10 30 CEEERN CN[C@@](C#N)(CN(CC(F)(F)F)C(C)C)C1CC1 ZINC000069079032 522402649 /nfs/dbraw/zinc/40/26/49/522402649.db2.gz MUJRFQYFYITPJN-NSHDSACASA-N 0 0 263.307 2.151 10 30 CEEERN CC[C@@H](CC1CC1)NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000070108682 522490761 /nfs/dbraw/zinc/49/07/61/522490761.db2.gz SMJHGUAAJJXPGP-HNNXBMFYSA-N 0 0 289.350 2.478 10 30 CEEERN CN[C@](C#N)(COc1cc(C)c([N+](=O)[O-])cc1C)C1CC1 ZINC000069089356 522509395 /nfs/dbraw/zinc/50/93/95/522509395.db2.gz WALGSXMGROJWIR-OAHLLOKOSA-N 0 0 289.335 2.482 10 30 CEEERN CN(CC1CCCCC1)C(=O)c1cncc(C#CCO)c1 ZINC000049628776 522656332 /nfs/dbraw/zinc/65/63/32/522656332.db2.gz VGBMBILWTWSKFV-UHFFFAOYSA-N 0 0 286.375 2.078 10 30 CEEERN CNc1nc(-c2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000050871371 522674366 /nfs/dbraw/zinc/67/43/66/522674366.db2.gz IGODMMBIVWNGHA-UHFFFAOYSA-N 0 0 287.344 2.065 10 30 CEEERN CC[C@@H](NC(=O)[C@@H](CC)/C(N)=N/O)C1CCCCC1 ZINC000052344542 522758695 /nfs/dbraw/zinc/75/86/95/522758695.db2.gz ZQUPXCKMYXFBFD-NWDGAFQWSA-N 0 0 269.389 2.234 10 30 CEEERN COc1cc([N+](=O)[O-])ccc1OCCC[C@@](C)(N)C#N ZINC000050505989 522983568 /nfs/dbraw/zinc/98/35/68/522983568.db2.gz VIJRTKQQKZFQHE-CYBMUJFWSA-N 0 0 279.296 2.003 10 30 CEEERN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C#CCO)cc1F ZINC000049614693 523518478 /nfs/dbraw/zinc/51/84/78/523518478.db2.gz NRDJUNMEUOAFHY-CZUORRHYSA-N 0 0 291.366 2.169 10 30 CEEERN COCCN(C(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1 ZINC000156183051 523549328 /nfs/dbraw/zinc/54/93/28/523549328.db2.gz FFKQZQUQBMXTPN-DOMZBBRYSA-N 0 0 288.347 2.105 10 30 CEEERN COCCN(CC(C)C)C(=O)[C@H](C#N)c1ccccc1 ZINC000061615087 523677286 /nfs/dbraw/zinc/67/72/86/523677286.db2.gz USKNEGLKXWSBKM-OAHLLOKOSA-N 0 0 274.364 2.425 10 30 CEEERN CCc1c(N)c(C#N)sc1C(C)(C)S(C)(=O)=O ZINC000070133328 523722615 /nfs/dbraw/zinc/72/26/15/523722615.db2.gz GTYLSBMWGZPIQU-UHFFFAOYSA-N 0 0 272.395 2.044 10 30 CEEERN CC[C@H](C)CNC(=O)c1cc(C#CCCO)ccc1F ZINC000054490954 523882271 /nfs/dbraw/zinc/88/22/71/523882271.db2.gz MNDPPFAVXXCEPM-LBPRGKRZSA-N 0 0 277.339 2.336 10 30 CEEERN CC[C@H](C)CNC(=O)c1ccc(OC)c(C#CCCO)c1 ZINC000054490977 523883819 /nfs/dbraw/zinc/88/38/19/523883819.db2.gz CSUNKUCQBASBNS-ZDUSSCGKSA-N 0 0 289.375 2.205 10 30 CEEERN Cc1cc(C)c(C#N)c(N2CCC[C@@H]2CCCO)n1 ZINC000052761530 524213741 /nfs/dbraw/zinc/21/37/41/524213741.db2.gz KPVURWTYAYZLMW-CYBMUJFWSA-N 0 0 259.353 2.311 10 30 CEEERN C[C@@H]1CCC[C@@](CO)(NC(=O)c2cccc(C#N)c2)C1 ZINC000053105287 524340516 /nfs/dbraw/zinc/34/05/16/524340516.db2.gz MFLBYMZFZMUQFF-MLGOLLRUSA-N 0 0 272.348 2.229 10 30 CEEERN Cc1cc(C)n(CCOc2ccc(C#CCCO)cc2)n1 ZINC000049619091 524529328 /nfs/dbraw/zinc/52/93/28/524529328.db2.gz BEAXZLBDHRIEMN-UHFFFAOYSA-N 0 0 284.359 2.313 10 30 CEEERN C[C@H]1CN(Cc2ccc(C#CCCO)cc2F)C[C@H](C)O1 ZINC000049615878 524616161 /nfs/dbraw/zinc/61/61/61/524616161.db2.gz BQDPANATDZHNBA-KBPBESRZSA-N 0 0 291.366 2.169 10 30 CEEERN Cc1cc(CCNC(=O)c2cccc(C#N)c2)c(C)[nH]1 ZINC000062576583 524643680 /nfs/dbraw/zinc/64/36/80/524643680.db2.gz HFZUGTBWHILDQS-UHFFFAOYSA-N 0 0 267.332 2.476 10 30 CEEERN Cc1cc(Sc2nnnn2C2CC2)c(C#N)c(C)n1 ZINC000156540750 525445518 /nfs/dbraw/zinc/44/55/18/525445518.db2.gz KQSHZROXRFVMIO-UHFFFAOYSA-N 0 0 272.337 2.043 10 30 CEEERN C[C@@H]1[C@@H](C)CCCN1C[C@@](N)(C#N)c1ccccc1 ZINC000050567079 525639721 /nfs/dbraw/zinc/63/97/21/525639721.db2.gz MHWQOJBDLQMYLH-LZWOXQAQSA-N 0 0 257.381 2.485 10 30 CEEERN Cc1ccoc1C(=O)NCc1cccc(C#CCCO)c1 ZINC000049589346 525784081 /nfs/dbraw/zinc/78/40/81/525784081.db2.gz IPBAEJMCQODYJC-UHFFFAOYSA-N 0 0 283.327 2.252 10 30 CEEERN Cc1ccc(C#N)c(Sc2n[nH]c(=O)n2C2CC2)c1 ZINC000061595314 525993200 /nfs/dbraw/zinc/99/32/00/525993200.db2.gz RTJCLRHAPCIIBA-UHFFFAOYSA-N 0 0 272.333 2.238 10 30 CEEERN CSc1cccc(NC(=O)c2cncc(C#CCO)c2)c1 ZINC000049628259 526137283 /nfs/dbraw/zinc/13/72/83/526137283.db2.gz SWHSYRQKKBBJJS-UHFFFAOYSA-N 0 0 298.367 2.400 10 30 CEEERN Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#CCO)c2)o1 ZINC000049588877 526195348 /nfs/dbraw/zinc/19/53/48/526195348.db2.gz ZLGDUZBZKGTDRM-ZDUSSCGKSA-N 0 0 283.327 2.423 10 30 CEEERN Cc1nnc(NCCC2=CCOCC2)c(C#N)c1C ZINC000158045570 526369290 /nfs/dbraw/zinc/36/92/90/526369290.db2.gz NIKIHFSIEFDUOB-UHFFFAOYSA-N 0 0 258.325 2.114 10 30 CEEERN Cc1n[nH]c(C)c1NC(=O)[C@@H](C#N)c1ccccc1 ZINC000061614518 526501098 /nfs/dbraw/zinc/50/10/98/526501098.db2.gz IUBZUBLSMMDZNS-LBPRGKRZSA-N 0 0 254.293 2.272 10 30 CEEERN Cc1n[nH]c(C)c1NC(=O)[C@H](C#N)c1ccccc1 ZINC000061614519 526501446 /nfs/dbraw/zinc/50/14/46/526501446.db2.gz IUBZUBLSMMDZNS-GFCCVEGCSA-N 0 0 254.293 2.272 10 30 CEEERN N#C[C@@](N)(CSc1ncnc2ccccc21)C1CC1 ZINC000069092674 526502724 /nfs/dbraw/zinc/50/27/24/526502724.db2.gz ZMUWJZFJMVXTTA-CQSZACIVSA-N 0 0 270.361 2.353 10 30 CEEERN CC(=O)N1CC(NC(=O)[C@H](c2ccncc2)C(C)C)C1 ZINC000329877077 526513490 /nfs/dbraw/zinc/51/34/90/526513490.db2.gz IUGSYTKVMAOCDF-AWEZNQCLSA-N 0 0 275.352 2.008 10 30 CEEERN Cc1nc(Sc2nc3c(cc2C#N)CCCC3)n[nH]1 ZINC000050683569 526533511 /nfs/dbraw/zinc/53/35/11/526533511.db2.gz NHJPWBDNMLTJFY-UHFFFAOYSA-N 0 0 271.349 2.410 10 30 CEEERN N#Cc1cc(Cn2cc(-c3ccccc3N)cn2)ccn1 ZINC000068755306 526555529 /nfs/dbraw/zinc/55/55/29/526555529.db2.gz UKLVVZYNJMMQRW-UHFFFAOYSA-N 0 0 275.315 2.447 10 30 CEEERN N#Cc1cc(N)ccc1N[C@H](CO)c1ccccc1 ZINC000063000842 526563203 /nfs/dbraw/zinc/56/32/03/526563203.db2.gz IWIHIAMLPKCXOB-OAHLLOKOSA-N 0 0 253.305 2.286 10 30 CEEERN N#Cc1cc([N+](=O)[O-])cnc1Oc1ccc(O)cc1 ZINC000050442692 526579171 /nfs/dbraw/zinc/57/91/71/526579171.db2.gz LWHYXELVLVHQCF-UHFFFAOYSA-N 0 0 257.205 2.359 10 30 CEEERN C=C(C)COCCNc1cc(-c2nc(C)no2)ccn1 ZINC000301646227 526658438 /nfs/dbraw/zinc/65/84/38/526658438.db2.gz DHIZKJWMESTPMV-UHFFFAOYSA-N 0 0 274.324 2.445 10 30 CEEERN O=C(NCc1ccccc1C#CCO)c1ccccc1F ZINC000049587999 526744022 /nfs/dbraw/zinc/74/40/22/526744022.db2.gz RTDVNEXZORPVDB-UHFFFAOYSA-N 0 0 283.302 2.100 10 30 CEEERN Cc1nc(CNc2ccc([N+](=O)[O-])cc2C#N)c[nH]1 ZINC000054822157 526899898 /nfs/dbraw/zinc/89/98/98/526899898.db2.gz OUKASWAEPQTTMJ-UHFFFAOYSA-N 0 0 257.253 2.110 10 30 CEEERN O=C(COc1cccc2c1CC/C2=N\O)N1CCCCC1 ZINC000062800315 526977941 /nfs/dbraw/zinc/97/79/41/526977941.db2.gz IOFWENHCKXCXLJ-SAPNQHFASA-N 0 0 288.347 2.202 10 30 CEEERN Cc1nccn1Cc1ccc(F)cc1C#CCCO ZINC000049619085 527449514 /nfs/dbraw/zinc/44/95/14/527449514.db2.gz ANYIDQYNXKXMAL-UHFFFAOYSA-N 0 0 258.296 2.113 10 30 CEEERN CC1(C)NC(=O)N(c2cccc(C#N)c2)C(=O)C1(C)C ZINC000087621869 534982428 /nfs/dbraw/zinc/98/24/28/534982428.db2.gz RVIUCXWHXOXFQO-UHFFFAOYSA-N 0 0 271.320 2.419 10 30 CEEERN CN1CCCc2cc([C@H](O)[C@]3(C#N)CCOC3)ccc21 ZINC000091880726 536398050 /nfs/dbraw/zinc/39/80/50/536398050.db2.gz NZQLBRAZEZMKQI-HOTGVXAUSA-N 0 0 272.348 2.033 10 30 CEEERN CO[C@H](c1noc(-c2ccnc(C#N)c2)n1)C1CC1 ZINC000234731820 536677139 /nfs/dbraw/zinc/67/71/39/536677139.db2.gz BMZJLSYKXQUHII-NSHDSACASA-N 0 0 256.265 2.101 10 30 CEEERN COc1cccc(C#CCOC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000125321317 649893835 /nfs/dbraw/zinc/89/38/35/649893835.db2.gz FCWQQEVNCPGYQQ-SWLSCSKDSA-N 0 0 274.316 2.157 10 30 CEEERN COc1cccc(C#CCOC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000125321560 649894023 /nfs/dbraw/zinc/89/40/23/649894023.db2.gz FCWQQEVNCPGYQQ-DOMZBBRYSA-N 0 0 274.316 2.157 10 30 CEEERN CCN(CC)S(=O)(=O)c1ccc(C(C)(C)C=O)cc1 ZINC000757192198 574512030 /nfs/dbraw/zinc/51/20/30/574512030.db2.gz JGMHQGDNANWQPW-UHFFFAOYSA-N 0 0 283.393 2.194 10 30 CEEERN Cc1nn([C@H](C)C(C)(C)C)cc1COS(C)(=O)=O ZINC000757196659 574512337 /nfs/dbraw/zinc/51/23/37/574512337.db2.gz VKCCMWDJWGCINR-SNVBAGLBSA-N 0 0 274.386 2.275 10 30 CEEERN CC(C#N)C(=O)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000536951164 566980685 /nfs/dbraw/zinc/98/06/85/566980685.db2.gz QDVOHMSVSIZMEE-GXFFZTMASA-N 0 0 274.295 2.297 10 30 CEEERN Cc1ccccc1N1CCC[C@@H](C(=O)C(C)C#N)C1=O ZINC000536951148 566980753 /nfs/dbraw/zinc/98/07/53/566980753.db2.gz PPFMHTKOEVQSHO-STQMWFEESA-N 0 0 270.332 2.467 10 30 CEEERN C#CCCS(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000288223974 622884704 /nfs/dbraw/zinc/88/47/04/622884704.db2.gz FAJDTPALARBNEI-LLVKDONJSA-N 0 0 284.406 2.023 10 30 CEEERN C#CCOCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000162220472 625105726 /nfs/dbraw/zinc/10/57/26/625105726.db2.gz SUJMSMUFGLNPPX-WDEREUQCSA-N 0 0 277.286 2.264 10 30 CEEERN COC(=O)C1CCC(C(=O)[C@@H](C#N)c2ccccn2)CC1 ZINC000181010019 627365389 /nfs/dbraw/zinc/36/53/89/627365389.db2.gz RJEPYTTUEVNHDA-BPCQOVAHSA-N 0 0 286.331 2.237 10 30 CEEERN C[C@@H](OC(=O)c1cccc(CC#N)c1)[C@H]1CCOC1 ZINC000079185783 630907840 /nfs/dbraw/zinc/90/78/40/630907840.db2.gz AGLSYYUSNNNPRD-RISCZKNCSA-N 0 0 259.305 2.334 10 30 CEEERN C=CCS(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc21 ZINC000223423115 639423955 /nfs/dbraw/zinc/42/39/55/639423955.db2.gz FNDPIDANNLPSDW-UHFFFAOYSA-N 0 0 296.367 2.263 10 30 CEEERN C=CCOC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000058815259 639536205 /nfs/dbraw/zinc/53/62/05/639536205.db2.gz DAICCIKLZLSATJ-AWEZNQCLSA-N 0 0 275.348 2.479 10 30 CEEERN C=CCc1cc(OC)ccc1OC(=O)[C@H]1C[C@H]1C(=O)OC ZINC000171188457 639704716 /nfs/dbraw/zinc/70/47/16/639704716.db2.gz IMLGLVWBWPIBIM-OLZOCXBDSA-N 0 0 290.315 2.138 10 30 CEEERN C[C@@H](OC(=O)c1ccccc1OCC#N)[C@@H]1CCOC1 ZINC000175292417 641321339 /nfs/dbraw/zinc/32/13/39/641321339.db2.gz ZOKVRNWFHADGSP-VXGBXAGGSA-N 0 0 275.304 2.171 10 30 CEEERN Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1cnccc1C#N ZINC000858007940 645045582 /nfs/dbraw/zinc/04/55/82/645045582.db2.gz FKMADKJUFUKCAS-DZGCQCFKSA-N 0 0 297.362 2.267 10 30 CEEERN C[C@H](OC(=O)Cn1ccc(=O)c2ccccc21)C(C)(C)C#N ZINC000131649145 652447644 /nfs/dbraw/zinc/44/76/44/652447644.db2.gz AYXZUEJNEUGBFG-LBPRGKRZSA-N 0 0 298.342 2.483 10 30 CEEERN C=CC[N@@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000121358346 365557687 /nfs/dbraw/zinc/55/76/87/365557687.db2.gz QYWUOZSAHZGQHO-AWEZNQCLSA-N 0 0 269.772 2.335 10 30 CEEERN COCCCSCc1sccc1C#CCO ZINC000082630024 178140729 /nfs/dbraw/zinc/14/07/29/178140729.db2.gz NZDPPAONGULTAL-UHFFFAOYSA-N 0 0 256.392 2.362 10 30 CEEERN Cc1nc2n(n1)CCC[C@H]2NCc1ccc(C#N)cc1 ZINC000083475934 282105610 /nfs/dbraw/zinc/10/56/10/282105610.db2.gz GUABKCBREJHHPC-CQSZACIVSA-N 0 0 267.336 2.083 10 30 CEEERN CCOC(=O)c1cnn(-c2ccc(C)cc2)c1C#N ZINC000034152902 361786866 /nfs/dbraw/zinc/78/68/66/361786866.db2.gz QNLWYPHPPPTTNM-UHFFFAOYSA-N 0 0 255.277 2.229 10 30 CEEERN CC(C)(C)[S@](=O)/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000034429230 361789894 /nfs/dbraw/zinc/78/98/94/361789894.db2.gz XNQNNFJWRGXIFE-FWVUHSSSSA-N 0 0 254.311 2.476 10 30 CEEERN C=CCN(CC(=O)OCC)C[C@H]1OCCc2ccccc21 ZINC000096609910 185108141 /nfs/dbraw/zinc/10/81/41/185108141.db2.gz BDZWPKLRXXRFND-MRXNPFEDSA-N 0 0 289.375 2.352 10 30 CEEERN C=CCN(CC)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000096769929 185112180 /nfs/dbraw/zinc/11/21/80/185112180.db2.gz VFMRVENNRMQTEC-UHFFFAOYSA-N 0 0 263.337 2.281 10 30 CEEERN CN[C@H](C#N)c1cc(Br)ccc1OC ZINC000036894261 361866772 /nfs/dbraw/zinc/86/67/72/361866772.db2.gz OZWKEZSJVHBLCL-SECBINFHSA-N 0 0 255.115 2.242 10 30 CEEERN 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/nfs/dbraw/zinc/47/36/40/346473640.db2.gz YZLGXZQADZKBBS-XHDPSFHLSA-N 0 0 283.335 2.256 10 30 CEEERN CN1CCN(CC[C@@](C)(C#N)NC2CC2)c2ccccc21 ZINC000111461679 136561911 /nfs/dbraw/zinc/56/19/11/136561911.db2.gz BJYLFMJWNJFLRU-KRWDZBQOSA-N 0 0 284.407 2.367 10 30 CEEERN C=CCN1C(=O)[C@@H](C(C)(C)C)NC(=O)[C@@H]1C1CCCCC1 ZINC000085744311 179138667 /nfs/dbraw/zinc/13/86/67/179138667.db2.gz HCFXDEURWUIGHN-KBPBESRZSA-N 0 0 292.423 2.494 10 30 CEEERN N#Cc1ccc(C(=O)NCc2n[nH]c3ccccc32)cc1 ZINC000065219474 362804523 /nfs/dbraw/zinc/80/45/23/362804523.db2.gz UQRQDVGLSUTBBQ-UHFFFAOYSA-N 0 0 276.299 2.365 10 30 CEEERN CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1N ZINC000085916471 179198615 /nfs/dbraw/zinc/19/86/15/179198615.db2.gz FKPGGGTUROMQIO-NSHDSACASA-N 0 0 295.408 2.243 10 30 CEEERN C[C@@H](Nc1c(C#N)nnc2ccccc21)[C@H]1CCCO1 ZINC000085919966 179199429 /nfs/dbraw/zinc/19/94/29/179199429.db2.gz UWDJFRAFZLZYAR-QMTHXVAHSA-N 0 0 268.320 2.481 10 30 CEEERN C[C@H]1[C@H](NS(=O)(=O)Cc2ccccc2C#N)CC[C@@H]1C 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/nfs/dbraw/zinc/37/21/39/179372139.db2.gz DPVLAHMHRBTOQX-UHFFFAOYSA-N 0 0 287.768 2.415 10 30 CEEERN CC[C@@](C)(C#N)NC(=O)c1snnc1C(C)(C)C ZINC000087445536 179427219 /nfs/dbraw/zinc/42/72/19/179427219.db2.gz CXVGXSPEAJQFEB-LBPRGKRZSA-N 0 0 266.370 2.258 10 30 CEEERN CCOC(=O)N1CCCOC[C@@H]1c1ccccc1C#N ZINC000616648907 348547048 /nfs/dbraw/zinc/54/70/48/348547048.db2.gz YFHLJYHTLDVJHT-CQSZACIVSA-N 0 0 274.320 2.478 10 30 CEEERN COC(=O)N1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616651175 348548551 /nfs/dbraw/zinc/54/85/51/348548551.db2.gz ALLKNHXXKXTFRF-CYBMUJFWSA-N 0 0 260.293 2.088 10 30 CEEERN COc1ccc(CN2CCCCCC2=O)cc1C#N ZINC000087833453 179498027 /nfs/dbraw/zinc/49/80/27/179498027.db2.gz CUQZPFAVVUZACI-UHFFFAOYSA-N 0 0 258.321 2.469 10 30 CEEERN CCOC(=O)N1CCOCC[C@@H]1c1ccccc1C#N ZINC000616657718 348550735 /nfs/dbraw/zinc/55/07/35/348550735.db2.gz FSWDNSXZLFCVCC-CQSZACIVSA-N 0 0 274.320 2.478 10 30 CEEERN CS(=O)(=O)N1CCCCC[C@H]1c1ccccc1C#N ZINC000616623917 348538167 /nfs/dbraw/zinc/53/81/67/348538167.db2.gz OCEZUBUBXYFHMD-AWEZNQCLSA-N 0 0 278.377 2.435 10 30 CEEERN CN[C@](C#N)(CN1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000088434479 179600540 /nfs/dbraw/zinc/60/05/40/179600540.db2.gz GIHDAFQDLXOBBV-NWDGAFQWSA-N 0 0 275.318 2.152 10 30 CEEERN Cc1c(C#CCO)cccc1C(=O)N(C)CCC(C)C ZINC000088443208 179603133 /nfs/dbraw/zinc/60/31/33/179603133.db2.gz BBNOCKXIUBIURW-UHFFFAOYSA-N 0 0 273.376 2.457 10 30 CEEERN Cc1c(C#CCO)cccc1C(=O)NCc1ccsc1 ZINC000088443455 179603935 /nfs/dbraw/zinc/60/39/35/179603935.db2.gz QJEOVEUXOKPVHO-UHFFFAOYSA-N 0 0 285.368 2.330 10 30 CEEERN Cc1cncc(C(=O)Nc2ccc(C)c(C#CCO)c2)c1 ZINC000088451828 179606778 /nfs/dbraw/zinc/60/67/78/179606778.db2.gz PKVJFSFBIFASDH-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN C=C(C)CN(CC)S(=O)(=O)c1ccc(CCCO)cc1 ZINC000088877332 179686624 /nfs/dbraw/zinc/68/66/24/179686624.db2.gz PUQNTKGKQAKLBB-UHFFFAOYSA-N 0 0 297.420 2.198 10 30 CEEERN CCc1nn(C)c(CN(C)CCC#N)c1Br ZINC000089307137 179768189 /nfs/dbraw/zinc/76/81/89/179768189.db2.gz LKRFAVKRQYGAGA-UHFFFAOYSA-N 0 0 285.189 2.090 10 30 CEEERN O=C([O-])[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000089443072 179789963 /nfs/dbraw/zinc/78/99/63/179789963.db2.gz CZVZJBPKHFJTGA-LSDHHAIUSA-N 0 0 257.333 2.129 10 30 CEEERN O=C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000104426059 185998608 /nfs/dbraw/zinc/99/86/08/185998608.db2.gz JLWPQIYRPNDHNO-NSHDSACASA-N 0 0 287.768 2.082 10 30 CEEERN Cc1ncsc1CN(C)c1ccccc1/C(N)=N/O ZINC000104433276 186000636 /nfs/dbraw/zinc/00/06/36/186000636.db2.gz ONBCMHWFWFFJRB-UHFFFAOYSA-N 0 0 276.365 2.182 10 30 CEEERN C[C@H](OCC(=O)Nc1ccccc1C#N)C(F)(F)F ZINC000090672896 180020857 /nfs/dbraw/zinc/02/08/57/180020857.db2.gz ZFQCBAWZSDGLOW-QMMMGPOBSA-N 0 0 272.226 2.464 10 30 CEEERN C[C@H](OCC[C@](C)(C#N)NC1CC1)C(F)(F)F ZINC000090674054 180021633 /nfs/dbraw/zinc/02/16/33/180021633.db2.gz OQFAAISAKBWNAY-WCBMZHEXSA-N 0 0 250.264 2.378 10 30 CEEERN C/C=C/C(=O)NCC#CCOc1cccc2c1OC(C)(C)C2 ZINC000090733233 180033375 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Cc1ccc2c(c1)[C@H](C#N)N(C1CCC(O)CC1)C2=O ZINC000071678072 176242903 /nfs/dbraw/zinc/24/29/03/176242903.db2.gz DFSJTXWDBYWJKB-QOZQQMKHSA-N 0 0 270.332 2.319 10 30 CEEERN Cc1c2c(ccc1Cl)[C@@H](C#N)N(C(C)(C)CO)C2=O ZINC000071679720 176244260 /nfs/dbraw/zinc/24/42/60/176244260.db2.gz TWBPUEKRCACYSY-LLVKDONJSA-N 0 0 278.739 2.440 10 30 CEEERN CC(C)(CO)N1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681129 176245572 /nfs/dbraw/zinc/24/55/72/176245572.db2.gz BTBIGPDDUDDSIE-JTQLQIEISA-N 0 0 298.264 2.497 10 30 CEEERN N#CC1c2cc(Oc3ccccc3)ccc2C(=O)N1CCO ZINC000071682448 176245728 /nfs/dbraw/zinc/24/57/28/176245728.db2.gz MMMQNNHJVQXSKX-INIZCTEOSA-N 0 0 294.310 2.492 10 30 CEEERN COCCN[C@](C)(C#N)c1ccc(F)cc1Cl ZINC000078900897 177404152 /nfs/dbraw/zinc/40/41/52/177404152.db2.gz BMCQKRALOZUTRQ-GFCCVEGCSA-N 0 0 256.708 2.454 10 30 CEEERN N#C[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000079810411 177563803 /nfs/dbraw/zinc/56/38/03/177563803.db2.gz IELPBMXCSXAEOC-JTQLQIEISA-N 0 0 259.265 2.113 10 30 CEEERN CO[C@H]1C[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)N(C)C1 ZINC000329115748 227305832 /nfs/dbraw/zinc/30/58/32/227305832.db2.gz IGMVKYUELUKKBZ-JSGCOSHPSA-N 0 0 273.336 2.475 10 30 CEEERN O=C(N[C@H]1CCCNC1=O)c1cccc2c1OCC(=O)N2 ZINC000329095596 227294194 /nfs/dbraw/zinc/29/41/94/227294194.db2.gz KXMYSCYJOADCDX-JTQLQIEISA-N 0 0 289.291 2.091 10 30 CEEERN Cc1nc(CN(C)[C@H](C)C(=O)NC[C@@H]2CCCO2)cs1 ZINC000329313760 227434659 /nfs/dbraw/zinc/43/46/59/227434659.db2.gz RPXNAVZZWZWWJL-MFKMUULPSA-N 0 0 297.424 2.407 10 30 CEEERN CO[C@@](C)(C(=O)NCc1ccnc2ccnn21)C1CC1 ZINC000329732911 227929197 /nfs/dbraw/zinc/92/91/97/227929197.db2.gz JEXLCUMPGHSJIP-CQSZACIVSA-N 0 0 274.324 2.001 10 30 CEEERN Cn1cc(CN[C@@H]2CCC[C@H]2C#N)c(C(C)(C)C)n1 ZINC000127899724 260370344 /nfs/dbraw/zinc/37/03/44/260370344.db2.gz LKYVOFCIVLEYLM-WCQYABFASA-N 0 0 260.385 2.499 10 30 CEEERN N#CCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000154006205 261086686 /nfs/dbraw/zinc/08/66/86/261086686.db2.gz KMIVDJZCDVMVAQ-SNVBAGLBSA-N 0 0 256.227 2.190 10 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CEEERN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccncc1C#CCCO ZINC000091460549 180161510 /nfs/dbraw/zinc/16/15/10/180161510.db2.gz URXTWWGRKFRJBY-UONOGXRCSA-N 0 0 286.375 2.076 10 30 CEEERN CCOC(=O)[C@@H](CC)N1CCC(C#N)(SC)CC1 ZINC000091470761 180164925 /nfs/dbraw/zinc/16/49/25/180164925.db2.gz FRGOUKVEOUFQHK-LLVKDONJSA-N 0 0 270.398 2.049 10 30 CEEERN C#CCN[C@H](C(=O)OC)c1ccc(Br)c(C)c1 ZINC000091471881 180165632 /nfs/dbraw/zinc/16/56/32/180165632.db2.gz IGBUBVLRCWDLEU-LBPRGKRZSA-N 0 0 296.164 2.194 10 30 CEEERN Cc1ncccc1NC(=O)c1cccc(C#CCO)c1C ZINC000091497919 180173146 /nfs/dbraw/zinc/17/31/46/180173146.db2.gz KRXYYYIQFULXOE-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN N#Cc1ccc(-c2ccc(/C=C3\NC(=S)NC3=O)o2)cc1 ZINC000105210587 186046018 /nfs/dbraw/zinc/04/60/18/186046018.db2.gz KRWOOUMHAWZZGD-GHXNOFRVSA-N 0 0 295.323 2.163 10 30 CEEERN N#C[C@@H]1CNCCN1Cc1c(Cl)cccc1Cl ZINC000091748057 180245406 /nfs/dbraw/zinc/24/54/06/180245406.db2.gz DFGCHNCBVPECQW-SECBINFHSA-N 0 0 270.163 2.291 10 30 CEEERN CN(c1cc(C#N)ccn1)C1CCC2(CC1)OCCO2 ZINC000091854202 180273484 /nfs/dbraw/zinc/27/34/84/180273484.db2.gz RHZMUPYPIHLEPW-UHFFFAOYSA-N 0 0 273.336 2.075 10 30 CEEERN N#CC1([C@]2(O)CCc3ccccc3C2)CCOCC1 ZINC000091878147 180279063 /nfs/dbraw/zinc/27/90/63/180279063.db2.gz NJAUXTZQYSNIDU-INIZCTEOSA-N 0 0 257.333 2.227 10 30 CEEERN CCCOc1cccc([C@H](O)[C@]2(C#N)CCOC2)c1 ZINC000091879752 180279305 /nfs/dbraw/zinc/27/93/05/180279305.db2.gz JSDVKSDNLBAFFU-GJZGRUSLSA-N 0 0 261.321 2.439 10 30 CEEERN N#C[C@@]1([C@H](O)c2ccccn2)CCOc2ccccc21 ZINC000091881101 180279566 /nfs/dbraw/zinc/27/95/66/180279566.db2.gz PYJMQVBQCUILCO-CVEARBPZSA-N 0 0 266.300 2.359 10 30 CEEERN C[C@@H](C#N)[C@@H](O)c1cc(Br)c2c(c1)OCCO2 ZINC000091884222 180279863 /nfs/dbraw/zinc/27/98/63/180279863.db2.gz CARHIEWLZDOLCX-WRWORJQWSA-N 0 0 298.136 2.413 10 30 CEEERN N#C[C@]1([C@@H](O)c2cc(F)c(F)c(F)c2)CCOC1 ZINC000091883682 180279902 /nfs/dbraw/zinc/27/99/02/180279902.db2.gz LPTJLDGGMQNBLD-NWDGAFQWSA-N 0 0 257.211 2.068 10 30 CEEERN 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C#CCN(CCC)C(=O)[C@@H]1COc2ccccc2C1 ZINC000108911022 186235326 /nfs/dbraw/zinc/23/53/26/186235326.db2.gz KUMNYPVRLDGCER-AWEZNQCLSA-N 0 0 257.333 2.110 10 30 CEEERN CNC(=O)c1ccc(N)c(N(C)c2cccc(C#N)c2)c1 ZINC000109533486 186259819 /nfs/dbraw/zinc/25/98/19/186259819.db2.gz XZMOZFDRQBKKTJ-UHFFFAOYSA-N 0 0 280.331 2.268 10 30 CEEERN CN(c1ccc(C#N)cc1)c1cc(C(N)=O)ccc1N ZINC000109530938 186260233 /nfs/dbraw/zinc/26/02/33/186260233.db2.gz WPDQOXMTNTVPMJ-UHFFFAOYSA-N 0 0 266.304 2.007 10 30 CEEERN COc1ccc(CNC(=O)[C@@H](C#N)C(C)C)c(OC)c1 ZINC000109555117 186262758 /nfs/dbraw/zinc/26/27/58/186262758.db2.gz OYJXKNVZTQJTNN-ZDUSSCGKSA-N 0 0 276.336 2.116 10 30 CEEERN Cc1ccc(C(=O)Nc2ccc(C)c(C#CCO)c2)o1 ZINC000109434086 186252404 /nfs/dbraw/zinc/25/24/04/186252404.db2.gz AKAWACQTAJGXMX-UHFFFAOYSA-N 0 0 269.300 2.493 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)C2CCCCCC2)CC1 ZINC000109446564 186253311 /nfs/dbraw/zinc/25/33/11/186253311.db2.gz WRHCFQSWDWRXMA-OAHLLOKOSA-N 0 0 277.412 2.403 10 30 CEEERN 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CCN[C@@H](C#N)CCn1c2ccccc2nc1CC ZINC000062807888 520058505 /nfs/dbraw/zinc/05/85/05/520058505.db2.gz OAMHWEDKYGHAPZ-GFCCVEGCSA-N 0 0 256.353 2.490 10 30 CEEERN CCCN[C@](C#N)(CN(CC)C[C@@H]1CCCO1)C1CC1 ZINC000069079571 520099666 /nfs/dbraw/zinc/09/96/66/520099666.db2.gz VIVAEGYOXJYIMQ-JKSUJKDBSA-N 0 0 279.428 2.159 10 30 CEEERN CCNc1ccc(C(=O)Nc2cccc(C#N)c2)nn1 ZINC000050728372 520296248 /nfs/dbraw/zinc/29/62/48/520296248.db2.gz HQCSFZTUJSTQPC-UHFFFAOYSA-N 0 0 267.292 2.032 10 30 CEEERN CCNc1ncc(C(=O)N(C)C[C@H](C)C#N)cc1Cl ZINC000050775872 520362543 /nfs/dbraw/zinc/36/25/43/520362543.db2.gz XNHMKFCNDACFTI-SECBINFHSA-N 0 0 280.759 2.398 10 30 CEEERN CCNc1ncnc2c1cnn2-c1ccc(C#N)cc1 ZINC000062366955 520383632 /nfs/dbraw/zinc/38/36/32/520383632.db2.gz KKBNDEQGGMMDDC-UHFFFAOYSA-N 0 0 264.292 2.119 10 30 CEEERN CCC[C@@H](C#N)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000051087303 520571358 /nfs/dbraw/zinc/57/13/58/520571358.db2.gz CJTFMHIVPFFEHE-QWHCGFSZSA-N 0 0 258.321 2.046 10 30 CEEERN 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CS(=O)(=O)OCC1(COCc2ccccc2)CCC1 ZINC000139815108 344395805 /nfs/dbraw/zinc/39/58/05/344395805.db2.gz DMHKUEMZFGPDCL-UHFFFAOYSA-N 0 0 284.377 2.350 10 30 CEEERN COc1ccc2c(c1NS(C)(=O)=O)CCC[C@H]2C#N ZINC000148038007 344413185 /nfs/dbraw/zinc/41/31/85/344413185.db2.gz KXPYZNCEQNEASR-VIFPVBQESA-N 0 0 280.349 2.010 10 30 CEEERN N#Cc1c(Br)cccc1SCCO ZINC000165055061 344473342 /nfs/dbraw/zinc/47/33/42/344473342.db2.gz NZFZTORLOJTRDH-UHFFFAOYSA-N 0 0 258.140 2.405 10 30 CEEERN C#C[C@H](NN)c1cc(Cl)cc(Br)c1 ZINC000236204133 344594967 /nfs/dbraw/zinc/59/49/67/344594967.db2.gz RTHAGMNWWQJHSM-VIFPVBQESA-N 0 0 259.534 2.240 10 30 CEEERN N#Cc1ccc(NC(=O)NCc2ccccc2)c(N)c1 ZINC000232303011 344577290 /nfs/dbraw/zinc/57/72/90/344577290.db2.gz BTGLRIVAGUBFDX-UHFFFAOYSA-N 0 0 266.304 2.462 10 30 CEEERN N#Cc1cc(Br)ncc1Br ZINC000238052532 344605589 /nfs/dbraw/zinc/60/55/89/344605589.db2.gz DOZJLQDHWWHDKV-UHFFFAOYSA-N 0 0 261.904 2.478 10 30 CEEERN N#Cc1ccc(I)cc1[N+](=O)[O-] ZINC000238581873 344607176 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/nfs/dbraw/zinc/75/75/70/344757570.db2.gz SSOAFBVMEUZIRY-GFCCVEGCSA-N 0 0 285.351 2.018 10 30 CEEERN COc1cccc(C=Nc2ccc3nc(N)nc(N)c3c2)c1 ZINC000584623071 344967628 /nfs/dbraw/zinc/96/76/28/344967628.db2.gz CHZMLTAOKIZSBB-DJKKODMXSA-N 0 0 293.330 2.214 10 30 CEEERN N#Cc1ccc([C@@]2(C(=O)c3cccnc3)CCOC2)cc1 ZINC000584645577 344972534 /nfs/dbraw/zinc/97/25/34/344972534.db2.gz FORVQSWKXSUJOA-QGZVFWFLSA-N 0 0 278.311 2.494 10 30 CEEERN COc1ccc(CCCCCCC(=O)C(=O)NO)cc1 ZINC000584652371 344973488 /nfs/dbraw/zinc/97/34/88/344973488.db2.gz HWSQKNWQLLEYAI-UHFFFAOYSA-N 0 0 279.336 2.263 10 30 CEEERN C#CCC(C(=O)OCC)(C(=O)OCC)[C@H](C)C#CCC ZINC000584651415 344973745 /nfs/dbraw/zinc/97/37/45/344973745.db2.gz PILZCWDSSVUBFQ-CYBMUJFWSA-N 0 0 278.348 2.172 10 30 CEEERN C=C(F)CN(C(=C)C(=O)OC)C(=O)c1ccccc1 ZINC000584661739 344974794 /nfs/dbraw/zinc/97/47/94/344974794.db2.gz PFYFLEDBDPWNTJ-UHFFFAOYSA-N 0 0 263.268 2.299 10 30 CEEERN N#Cc1cnc2ccc(Br)cc2c1OCCO ZINC000053994715 362503736 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ZINC000177478108 232356947 /nfs/dbraw/zinc/35/69/47/232356947.db2.gz UFLSYLXZDHAPKT-CYBMUJFWSA-N 0 0 297.358 2.232 10 30 CEEERN C#C[C@@H](NN)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000097748867 185659895 /nfs/dbraw/zinc/65/98/95/185659895.db2.gz BGKASWRFIPAOKK-GFCCVEGCSA-N 0 0 278.352 2.020 10 30 CEEERN COc1cc(CN[C@H]2CCC[C@@H]2C#N)cc(OC)c1 ZINC000061891543 362697271 /nfs/dbraw/zinc/69/72/71/362697271.db2.gz AQDFRZAMRAGCEJ-DOMZBBRYSA-N 0 0 260.337 2.486 10 30 CEEERN COC(=O)c1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000061891305 362697382 /nfs/dbraw/zinc/69/73/82/362697382.db2.gz NUSKNVVUUPUSDW-KBPBESRZSA-N 0 0 258.321 2.255 10 30 CEEERN COc1cc(OC)c(CN[C@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000061891801 362697621 /nfs/dbraw/zinc/69/76/21/362697621.db2.gz OOKCLRWSYBNGLW-FZMZJTMJSA-N 0 0 290.363 2.494 10 30 CEEERN COc1ccc(OC)c(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061891484 362697691 /nfs/dbraw/zinc/69/76/91/362697691.db2.gz PMEDTCKTMCHQOV-BXUZGUMPSA-N 0 0 260.337 2.486 10 30 CEEERN C=C(Cl)Cn1cnc(C)c(Br)c1=O ZINC000085464110 179070009 /nfs/dbraw/zinc/07/00/09/179070009.db2.gz HQEDJEDZJJYDMQ-UHFFFAOYSA-N 0 0 263.522 2.067 10 30 CEEERN CNc1ncnc(Oc2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000085538674 179092676 /nfs/dbraw/zinc/09/26/76/179092676.db2.gz KHWPNIMFIMGUGK-UHFFFAOYSA-N 0 0 271.236 2.090 10 30 CEEERN C=CCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H]1C1CCCCC1 ZINC000085716750 179128271 /nfs/dbraw/zinc/12/82/71/179128271.db2.gz GWYCYHNXKSYSPP-KBPBESRZSA-N 0 0 278.396 2.104 10 30 CEEERN N#Cc1ccc(C(=O)N2CCCc3ccc(N)cc32)nc1 ZINC000111280647 136561187 /nfs/dbraw/zinc/56/11/87/136561187.db2.gz HZMKZVZZWPDECJ-UHFFFAOYSA-N 0 0 278.315 2.128 10 30 CEEERN C=CCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCCCC2 ZINC000085749051 179141481 /nfs/dbraw/zinc/14/14/81/179141481.db2.gz MBRXRZHSSSJCLP-ZDUSSCGKSA-N 0 0 278.396 2.248 10 30 CEEERN N#Cc1cc(F)ccc1N1CCC[C@H](Cn2cncn2)C1 ZINC000266316904 136601250 /nfs/dbraw/zinc/60/12/50/136601250.db2.gz FBLHCIISCIUMSE-LBPRGKRZSA-N 0 0 285.326 2.205 10 30 CEEERN C=CCN1C(=O)[C@H](c2ccccc2)NC(=O)[C@H]1CC(C)C ZINC000085759072 179151572 /nfs/dbraw/zinc/15/15/72/179151572.db2.gz KKJZTJASQRCCGT-CABCVRRESA-N 0 0 286.375 2.287 10 30 CEEERN C=CCN1C(=O)[C@H](c2ccccc2)NC(=O)[C@]1(C)CC ZINC000085759346 179151982 /nfs/dbraw/zinc/15/19/82/179151982.db2.gz ZBBDJCGAORCCIF-BBRMVZONSA-N 0 0 272.348 2.041 10 30 CEEERN C=CCN1C(=O)[C@](C)(c2ccccc2)NC(=O)[C@@H]1C(C)C ZINC000085776664 179160638 /nfs/dbraw/zinc/16/06/38/179160638.db2.gz PNWNFJJBZAUIOQ-YOEHRIQHSA-N 0 0 286.375 2.071 10 30 CEEERN N#C[C@]1([C@H](O)c2ccccc2Br)CCOC1 ZINC000085887521 179196367 /nfs/dbraw/zinc/19/63/67/179196367.db2.gz UEDMRMFWSVZZNT-VXGBXAGGSA-N 0 0 282.137 2.413 10 30 CEEERN C[C@@H](Nc1c(C#N)nnc2ccccc21)[C@@H]1CCCO1 ZINC000085919958 179199230 /nfs/dbraw/zinc/19/92/30/179199230.db2.gz UWDJFRAFZLZYAR-YGRLFVJLSA-N 0 0 268.320 2.481 10 30 CEEERN N#Cc1nnc2ccccc2c1NC1(CO)CCCC1 ZINC000085920453 179200405 /nfs/dbraw/zinc/20/04/05/179200405.db2.gz UHODOOLKYAAQFH-UHFFFAOYSA-N 0 0 268.320 2.218 10 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XXKAGJDJDJSVHB-NSHDSACASA-N 0 0 299.292 2.456 10 30 CEEERN CN[C@](C#N)(CSc1nc(C)c(C)c(C)n1)C1CC1 ZINC000086644579 179315694 /nfs/dbraw/zinc/31/56/94/179315694.db2.gz MNZCGHUTOZZJOD-CQSZACIVSA-N 0 0 276.409 2.386 10 30 CEEERN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H](O)C2)c1 ZINC000613411910 348041194 /nfs/dbraw/zinc/04/11/94/348041194.db2.gz ABCBISXVPPOXPL-MNOVXSKESA-N 0 0 261.281 2.182 10 30 CEEERN CCC1CCC(O)(CNC(=O)c2ccc(C#N)cn2)CC1 ZINC000087076411 179392586 /nfs/dbraw/zinc/39/25/86/179392586.db2.gz CPCKPSFMBUGVDK-UHFFFAOYSA-N 0 0 287.363 2.014 10 30 CEEERN O=C(CC[C@H]1CCCO1)Nc1ccccc1C#CCCO ZINC000087238182 179404292 /nfs/dbraw/zinc/40/42/92/179404292.db2.gz HSTFOCNOEBVCDN-OAHLLOKOSA-N 0 0 287.359 2.318 10 30 CEEERN CC(C)c1nnsc1C(=O)N1CCC[C@@H](C#N)C1 ZINC000087442112 179426172 /nfs/dbraw/zinc/42/61/72/179426172.db2.gz PLQVUGQRSYRXNK-VIFPVBQESA-N 0 0 264.354 2.037 10 30 CEEERN N#C[C@]1([C@@H]2CCS(=O)(=O)C2)CCCc2ccccc21 ZINC000087930049 179525913 /nfs/dbraw/zinc/52/59/13/179525913.db2.gz BLURWLOXCSMSHU-HIFRSBDPSA-N 0 0 275.373 2.219 10 30 CEEERN C=CCOC[C@@H]1OC=C[C@H](OCC=C)[C@@H]1OCC=C ZINC000616585972 348526917 /nfs/dbraw/zinc/52/69/17/348526917.db2.gz GMXNBEFAYKHZCQ-KKUMJFAQSA-N 0 0 266.337 2.244 10 30 CEEERN CC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(N)=O ZINC000088191628 179561798 /nfs/dbraw/zinc/56/17/98/179561798.db2.gz KUJJMGCLJJGQKI-SNVBAGLBSA-N 0 0 271.242 2.253 10 30 CEEERN COc1ccc(OCCN2CCCC[C@@H]2C#N)cc1 ZINC000088401908 179593829 /nfs/dbraw/zinc/59/38/29/179593829.db2.gz SSQJRKOMWHHWFK-CYBMUJFWSA-N 0 0 260.337 2.452 10 30 CEEERN CC[C@@H](C#N)S(=O)(=O)N[C@@H](C)C1CCCCC1 ZINC000088485363 179612387 /nfs/dbraw/zinc/61/23/87/179612387.db2.gz JEYAHMYAIGKITQ-JQWIXIFHSA-N 0 0 258.387 2.177 10 30 CEEERN CC(C)[C@@H]1CCCN1C(=O)c1cc(F)ccc1C#CCO ZINC000088850688 179683503 /nfs/dbraw/zinc/68/35/03/179683503.db2.gz HOSRHWMTNWSBGF-INIZCTEOSA-N 0 0 289.350 2.430 10 30 CEEERN CCn1nc(C)cc1COc1cccc(C#CCO)c1 ZINC000089201470 179752983 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276.052 2.079 10 30 CEEERN Cc1c(N)ccc(CC#N)c1I ZINC000575719066 366344415 /nfs/dbraw/zinc/34/44/15/366344415.db2.gz NTNKGQSGNVRWPT-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN N#Cc1cnc2ccccc2c1N1CCn2ccnc2C1 ZINC000062255485 283243474 /nfs/dbraw/zinc/24/34/74/283243474.db2.gz ZLSFCWQLEPDGRU-UHFFFAOYSA-N 0 0 275.315 2.323 10 30 CEEERN N#Cc1n[nH]c2cc(Br)cc([N+](=O)[O-])c12 ZINC000014983040 283247771 /nfs/dbraw/zinc/24/77/71/283247771.db2.gz OOBSOEUVDQTYLF-UHFFFAOYSA-N 0 0 267.042 2.105 10 30 CEEERN CC[C@@H](C#N)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000111026417 535390206 /nfs/dbraw/zinc/39/02/06/535390206.db2.gz FXWWYCBZYCMJRB-AWEZNQCLSA-N 0 0 272.327 2.122 10 30 CEEERN C#CCCC(=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000685960263 540659436 /nfs/dbraw/zinc/65/94/36/540659436.db2.gz BBDWYKSMECTLSE-UHFFFAOYSA-N 0 0 251.326 2.272 10 30 CEEERN COCCNc1cc(Br)cc(C#N)c1 ZINC000142920507 366568637 /nfs/dbraw/zinc/56/86/37/366568637.db2.gz HRSZVQXXXHYWNV-UHFFFAOYSA-N 0 0 255.115 2.379 10 30 CEEERN 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C#Cc1cccc(NC(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000083544143 363778659 /nfs/dbraw/zinc/77/86/59/363778659.db2.gz BNPXAZCBMVGSRF-CQSZACIVSA-N 0 0 295.346 2.224 10 30 CEEERN Oc1ccccc1/C=N/NC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000013657706 361435783 /nfs/dbraw/zinc/43/57/83/361435783.db2.gz MWDXVNLHHGFYED-FFHOYIHNSA-N 0 0 289.404 2.379 10 30 CEEERN CCCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccccc1 ZINC000013808881 361442298 /nfs/dbraw/zinc/44/22/98/361442298.db2.gz WVZZALQGSXSJLB-CYBMUJFWSA-N 0 0 299.392 2.305 10 30 CEEERN Cc1cc(N(C)C[C@H]2CCC[C@H]2O)c(C#N)c(C)n1 ZINC000301820060 201215482 /nfs/dbraw/zinc/21/54/82/201215482.db2.gz GECFESHFXPDNFE-IUODEOHRSA-N 0 0 259.353 2.167 10 30 CEEERN CCCCC(=O)N[C@@H](C#N)COCc1ccccc1 ZINC000022050547 361586158 /nfs/dbraw/zinc/58/61/58/361586158.db2.gz XJSSSDFJRLJGKQ-AWEZNQCLSA-N 0 0 260.337 2.402 10 30 in-vitro CEEERN CO[C@H](C)c1nc(CN(C)c2ccc(C#N)nn2)cs1 ZINC000301959131 201277226 /nfs/dbraw/zinc/27/72/26/201277226.db2.gz LSWHATPQKNEBJD-SECBINFHSA-N 0 0 289.364 2.149 10 30 CEEERN CC(C)c1nc2n(n1)CCC[C@H]2Nc1ccc(C#N)nn1 ZINC000301955609 201275268 /nfs/dbraw/zinc/27/52/68/201275268.db2.gz KSENMFFVOJXXAU-LLVKDONJSA-N 0 0 283.339 2.010 10 30 CEEERN C#CCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000098033987 364525114 /nfs/dbraw/zinc/52/51/14/364525114.db2.gz MHJMPJDMJPDRRP-MRVPVSSYSA-N 0 0 254.692 2.473 10 30 CEEERN C=CCOc1ccccc1CNC(=O)N[C@H]1C[C@@H]1C ZINC000111490483 364742216 /nfs/dbraw/zinc/74/22/16/364742216.db2.gz VQKLRXMPVUEYKE-AAEUAGOBSA-N 0 0 260.337 2.459 10 30 CEEERN C[C@H]1CC[C@@H](CO)CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000119367397 365262222 /nfs/dbraw/zinc/26/22/22/365262222.db2.gz VZOVRWWYTCGZDC-WDEREUQCSA-N 0 0 275.308 2.064 10 30 CEEERN N#Cc1ccc(CN2CCC[C@@H](n3cncn3)C2)s1 ZINC000119523574 365285617 /nfs/dbraw/zinc/28/56/17/365285617.db2.gz YYYNQYMQFWYCKV-LLVKDONJSA-N 0 0 273.365 2.048 10 30 CEEERN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164694668 367293686 /nfs/dbraw/zinc/29/36/86/367293686.db2.gz CDNZEEBTAPYDKN-CZUORRHYSA-N 0 0 296.374 2.476 10 30 CEEERN CCn1ccnc1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000171554540 367566436 /nfs/dbraw/zinc/56/64/36/367566436.db2.gz UMJMPNJEYKDGCG-UHFFFAOYSA-N 0 0 278.315 2.138 10 30 CEEERN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCS[C@@H](C)C1 ZINC000171571441 367569312 /nfs/dbraw/zinc/56/93/12/367569312.db2.gz WTEFKQWNXLUJNJ-NWDGAFQWSA-N 0 0 290.388 2.289 10 30 CEEERN Cc1cc(C#N)ccc1OCc1nnc(C2CC2)n1C ZINC000183251867 368617733 /nfs/dbraw/zinc/61/77/33/368617733.db2.gz PEQFUZOLLHBSSV-UHFFFAOYSA-N 0 0 268.320 2.452 10 30 CEEERN C=CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccccc1C ZINC000185154546 368757510 /nfs/dbraw/zinc/75/75/10/368757510.db2.gz XLQJLBCFRZSAQM-STQMWFEESA-N 0 0 262.353 2.292 10 30 CEEERN C#CCC(C)(C)C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000185766744 368855660 /nfs/dbraw/zinc/85/56/60/368855660.db2.gz OGYJVVMLVZHDMB-NSHDSACASA-N 0 0 267.369 2.225 10 30 CEEERN CCCCOC[C@@H](O)CSc1cc(C#N)ccn1 ZINC000193371746 369934996 /nfs/dbraw/zinc/93/49/96/369934996.db2.gz KWKZUPDSCPOFQW-GFCCVEGCSA-N 0 0 266.366 2.223 10 30 CEEERN CC[C@](C)(CCO)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000230216235 370447003 /nfs/dbraw/zinc/44/70/03/370447003.db2.gz GEAMOHXTUROWGM-CYBMUJFWSA-N 0 0 263.297 2.429 10 30 CEEERN CSc1nnc2n(N=Cc3c[nH]c4ccccc34)cnn12 ZINC000254481674 371535279 /nfs/dbraw/zinc/53/52/79/371535279.db2.gz GZZOHUVBTVFBPZ-UHFFFAOYSA-N 0 0 297.347 2.011 10 30 CEEERN N#CCc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000264057117 371958905 /nfs/dbraw/zinc/95/89/05/371958905.db2.gz NLSWGXVBOIULQC-KGLIPLIRSA-N 0 0 273.336 2.178 10 30 CEEERN CC(C)(C)OC(=O)NCC(=NO)c1ccccc1 ZINC000382571931 375189058 /nfs/dbraw/zinc/18/90/58/375189058.db2.gz OYCHXXYYNVNOEE-UHFFFAOYSA-N 0 0 250.298 2.390 10 30 CEEERN CC[C@@H]1CC[C@@H](NC(=O)C#CBr)[C@H]1C ZINC000306555371 376549610 /nfs/dbraw/zinc/54/96/10/376549610.db2.gz LQXCIEXFVSJRGO-IVZWLZJFSA-N 0 0 258.159 2.283 10 30 CEEERN C#CC(=O)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000139691312 542241840 /nfs/dbraw/zinc/24/18/40/542241840.db2.gz YGGMPCZRPYZPHW-LLVKDONJSA-N 0 0 251.326 2.368 10 30 CEEERN Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)c(C#N)c(C)n1 ZINC000301772074 379303442 /nfs/dbraw/zinc/30/34/42/379303442.db2.gz JWFKNNZCDGBZOL-QWHCGFSZSA-N 0 0 259.353 2.167 10 30 CEEERN C#CCC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000405443725 542268443 /nfs/dbraw/zinc/26/84/43/542268443.db2.gz BPEVWBUODVVWNU-LLVKDONJSA-N 0 0 251.326 2.368 10 30 CEEERN C#CCC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000405511067 542271219 /nfs/dbraw/zinc/27/12/19/542271219.db2.gz PBGSBESUORXXAD-LLVKDONJSA-N 0 0 251.326 2.368 10 30 CEEERN C#CCC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000405774214 542274684 /nfs/dbraw/zinc/27/46/84/542274684.db2.gz RKAIAUVNOUKYRG-SNVBAGLBSA-N 0 0 251.326 2.367 10 30 CEEERN CCCCN(CCO)c1nc2c(cc1C#N)CCCC2 ZINC000043409991 184559706 /nfs/dbraw/zinc/55/97/06/184559706.db2.gz LHEOLOHCLPNZBZ-UHFFFAOYSA-N 0 0 273.380 2.431 10 30 CEEERN C#CCCCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000192114700 533006214 /nfs/dbraw/zinc/00/62/14/533006214.db2.gz SNKBUMLIBZPKTM-CQSZACIVSA-N 0 0 259.353 2.159 10 30 CEEERN CN[C@@]1(C#N)CCC[C@@H](Sc2cc(C)nn2C)C1 ZINC000093747364 184711654 /nfs/dbraw/zinc/71/16/54/184711654.db2.gz LZUSBHFMNNZSPH-YPMHNXCESA-N 0 0 264.398 2.245 10 30 CEEERN N#C[C@@H]1CCCN(C(=O)c2c(F)ccc([N+](=O)[O-])c2F)C1 ZINC000094190557 184761210 /nfs/dbraw/zinc/76/12/10/184761210.db2.gz YDGNKGUYPJMHNH-QMMMGPOBSA-N 0 0 295.245 2.249 10 30 CEEERN Cc1cscc1C(=O)Nc1cccc(C#CCO)n1 ZINC000094248471 184769864 /nfs/dbraw/zinc/76/98/64/184769864.db2.gz OLJSWGCXLYWSHC-UHFFFAOYSA-N 0 0 272.329 2.048 10 30 CEEERN OCCC#Cc1cncc(O[C@@H]2CCOC3(CCC3)C2)c1 ZINC000094408438 184793987 /nfs/dbraw/zinc/79/39/87/184793987.db2.gz WGUDSHTWDSHDJC-OAHLLOKOSA-N 0 0 287.359 2.296 10 30 CEEERN COC[C@H](C)CC(=O)Nc1ccc(C#CCCO)cc1C ZINC000095037298 184920324 /nfs/dbraw/zinc/92/03/24/184920324.db2.gz GUQGWWLDVRXZMG-CYBMUJFWSA-N 0 0 289.375 2.340 10 30 CEEERN CCCN[C@@](C#N)(Cn1ccnc1C#N)c1ccccc1 ZINC000094939413 184897238 /nfs/dbraw/zinc/89/72/38/184897238.db2.gz FTCMJCNOTASQQG-INIZCTEOSA-N 0 0 279.347 2.173 10 30 CEEERN N#Cc1cc(N)cnc1N1CCC(C(F)(F)F)CC1 ZINC000088417796 135054901 /nfs/dbraw/zinc/05/49/01/135054901.db2.gz CJHCFJDQWDOEMT-UHFFFAOYSA-N 0 0 270.258 2.314 10 30 CEEERN CCN(C(C)=O)c1ccc(C(=O)/C=C/N(C)C)cc1 ZINC000036468639 394494624 /nfs/dbraw/zinc/49/46/24/394494624.db2.gz UQKMSHAIECYWDU-ZHACJKMWSA-N 0 0 260.337 2.317 10 30 CEEERN COC(=O)c1ccc(C#N)c(Br)c1C ZINC000306822340 394518707 /nfs/dbraw/zinc/51/87/07/394518707.db2.gz NDXQHRXZJDPYHZ-UHFFFAOYSA-N 0 0 254.083 2.416 10 30 CEEERN CCOc1cccc(/C=N/[C@@H]2CCCn3ncnc32)c1O ZINC000176449346 395140103 /nfs/dbraw/zinc/14/01/03/395140103.db2.gz SHEBDEDJFQOTES-GFQQVXNGSA-N 0 0 286.335 2.336 10 30 CEEERN COC(=O)Cc1c(C#N)cc(OC)cc1C(F)F ZINC000575343625 395660076 /nfs/dbraw/zinc/66/00/76/395660076.db2.gz SRKQSSXTHTWPQA-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN COC(=O)Cc1c(C(F)F)ccc(C#N)c1OC ZINC000575343549 395660124 /nfs/dbraw/zinc/66/01/24/395660124.db2.gz HHTWNBBOMOFTFW-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN CCOC(=O)Cc1cc(C=O)c(C#N)cc1Br ZINC000575341657 395660216 /nfs/dbraw/zinc/66/02/16/395660216.db2.gz XRPBMFBOVXMFFM-UHFFFAOYSA-N 0 0 296.120 2.239 10 30 CEEERN CCOC(=O)Cc1ccc(C=O)c(C#N)c1Cl ZINC000575382726 395662329 /nfs/dbraw/zinc/66/23/29/395662329.db2.gz YLEMCRKPWWYMOA-UHFFFAOYSA-N 0 0 251.669 2.130 10 30 CEEERN CCOC(=O)Cc1cc(C#N)c(Cl)cc1[N+](=O)[O-] ZINC000575382864 395662381 /nfs/dbraw/zinc/66/23/81/395662381.db2.gz JLAHZTXKCAMUEK-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1c(C#N)ccc(OC)c1Br ZINC000575383014 395662534 /nfs/dbraw/zinc/66/25/34/395662534.db2.gz RVTNJOWEEDTGSD-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)c1c(C#N)ccc(OC(F)F)c1F ZINC000575385660 395662721 /nfs/dbraw/zinc/66/27/21/395662721.db2.gz BUCOOAPYUZLJOL-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1cc(OC(F)F)c(C=O)cc1C#N ZINC000575385790 395662929 /nfs/dbraw/zinc/66/29/29/395662929.db2.gz LHKANFRSSVEYHJ-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)c1cc(C#N)c(OC(F)F)cc1F ZINC000575386140 395662953 /nfs/dbraw/zinc/66/29/53/395662953.db2.gz VXNSTCKNZYJZNO-UHFFFAOYSA-N 0 0 259.183 2.475 10 30 CEEERN CCOC(=O)c1c(C#N)cc(C(F)F)cc1CO ZINC000575387475 395663129 /nfs/dbraw/zinc/66/31/29/395663129.db2.gz IYIDOHJIAYRIRZ-UHFFFAOYSA-N 0 0 255.220 2.165 10 30 CEEERN COC(=O)Cc1c(C=O)cc(C#N)cc1C(F)F ZINC000575387467 395663143 /nfs/dbraw/zinc/66/31/43/395663143.db2.gz HXSQSBVAAOIOAN-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN CCOC(=O)Cc1cc(C(F)F)c(C#N)cc1CO ZINC000575388080 395663478 /nfs/dbraw/zinc/66/34/78/395663478.db2.gz UVCUJQQEJGSAED-UHFFFAOYSA-N 0 0 269.247 2.094 10 30 CEEERN CCOC(=O)Cc1c(C#N)cc(OC)cc1OC(F)F ZINC000575388546 395663842 /nfs/dbraw/zinc/66/38/42/395663842.db2.gz MMQRNKMQIMIHMA-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN COC(=O)Cc1cc(C#N)cc(F)c1OC(F)(F)F ZINC000575390367 395664057 /nfs/dbraw/zinc/66/40/57/395664057.db2.gz FKRCOBSWIVBKPY-UHFFFAOYSA-N 0 0 277.173 2.311 10 30 CEEERN COC(=O)Cc1c(C#N)ccc(C(F)F)c1[N+](=O)[O-] ZINC000575389296 395664110 /nfs/dbraw/zinc/66/41/10/395664110.db2.gz KEQYARKMYUQOCW-UHFFFAOYSA-N 0 0 270.191 2.120 10 30 CEEERN COC(=O)c1cc(C#N)cc(OC(F)(F)F)c1F ZINC000575390398 395664214 /nfs/dbraw/zinc/66/42/14/395664214.db2.gz ITCWZYJEIDDELG-UHFFFAOYSA-N 0 0 263.146 2.383 10 30 CEEERN N#Cc1ccc(Cl)cc1N1CC[C@@H](CCO)C1 ZINC000229348102 153374530 /nfs/dbraw/zinc/37/45/30/153374530.db2.gz OKQRIDKEVZKEPB-JTQLQIEISA-N 0 0 250.729 2.420 10 30 CEEERN CC(=O)c1nn(-c2ccc(Cl)cc2)c(=N)c(C#N)c1C ZINC000005535737 170109971 /nfs/dbraw/zinc/10/99/71/170109971.db2.gz UKBWOUKVAHYPOU-UHFFFAOYSA-N 0 0 286.722 2.388 10 30 CEEERN CCCNC(=O)[C@@H](C)N(CCC#N)c1ccccc1 ZINC000020358742 171157691 /nfs/dbraw/zinc/15/76/91/171157691.db2.gz BCSYNGHGKNDJDQ-CYBMUJFWSA-N 0 0 259.353 2.321 10 30 CEEERN C=CCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1 ZINC000035358423 172148280 /nfs/dbraw/zinc/14/82/80/172148280.db2.gz AULJYKTXJYBUNB-UHFFFAOYSA-N 0 0 282.752 2.353 10 30 CEEERN CCCCCN(C)C(=O)c1cccc(/C(N)=N/O)c1 ZINC000037172109 173005562 /nfs/dbraw/zinc/00/55/62/173005562.db2.gz ZNRPAXPMFGJSEF-UHFFFAOYSA-N 0 0 263.341 2.043 10 30 CEEERN C[C@H](C#N)CN(C)C(=O)c1ccc(Cl)c(N)c1 ZINC000037823329 173777667 /nfs/dbraw/zinc/77/76/67/173777667.db2.gz WHMUYINDMOJHCO-MRVPVSSYSA-N 0 0 251.717 2.154 10 30 CEEERN CC(=O)O[C@H](C#N)CC[P@@](C)(=O)OCC(C)C ZINC000038634220 174150131 /nfs/dbraw/zinc/15/01/31/174150131.db2.gz ZVLFTEXTYRDTHR-GTNSWQLSSA-N 0 0 261.258 2.412 10 30 CEEERN CCOc1cc(C#N)c(Br)cc1OCCO ZINC000040165825 174197361 /nfs/dbraw/zinc/19/73/61/174197361.db2.gz LQTYKQHRZJQEMS-UHFFFAOYSA-N 0 0 286.125 2.091 10 30 CEEERN C=CC(=O)NCCc1nc2ccccc2n1CC(=C)C ZINC000040203613 174203589 /nfs/dbraw/zinc/20/35/89/174203589.db2.gz WUBJOQURBIUPCB-UHFFFAOYSA-N 0 0 269.348 2.457 10 30 CEEERN CC(C)CN(CCC#N)C(=O)[C@@H]1Cc2ccccc2N1 ZINC000040468539 174276982 /nfs/dbraw/zinc/27/69/82/174276982.db2.gz FYTJAUKPCOUAJX-HNNXBMFYSA-N 0 0 271.364 2.421 10 30 CEEERN N#Cc1ccccc1COC(=O)c1ccc(N)cc1N ZINC000041094064 174478369 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Cc1nc(N2CCO[C@H]3CCCC[C@H]32)ccc1C#N ZINC000292095072 279092479 /nfs/dbraw/zinc/09/24/79/279092479.db2.gz YXDKWLBUEFZFFX-KGLIPLIRSA-N 0 0 257.337 2.410 10 30 CEEERN CC(C)[C@H]1CCO[C@H]1C(=O)NCC1(O)CCCC1 ZINC000329298145 280390218 /nfs/dbraw/zinc/39/02/18/280390218.db2.gz UKEBWIBJRMPKBR-VXGBXAGGSA-N 0 0 255.358 2.309 10 30 CEEERN CC(C)[C@H]1N(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@]12CCCO2 ZINC000333446396 280457288 /nfs/dbraw/zinc/45/72/88/280457288.db2.gz XOKVFXIJRGFSOT-NHIYQJMISA-N 0 0 291.395 2.278 10 30 CEEERN C[C@]1(CO)CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000132767928 300806970 /nfs/dbraw/zinc/80/69/70/300806970.db2.gz XDWAGEUTLTXECG-AWEZNQCLSA-N 0 0 266.291 2.435 10 30 CEEERN C=CCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000175598757 327672980 /nfs/dbraw/zinc/67/29/80/327672980.db2.gz BCIRGVLMGREVPG-SNVBAGLBSA-N 0 0 264.329 2.226 10 30 CEEERN CC(C)c1nnc(CSc2cc(C#N)ccn2)n1C ZINC000194693148 321812705 /nfs/dbraw/zinc/81/27/05/321812705.db2.gz PEOPFQHAKRZIIA-UHFFFAOYSA-N 0 0 273.365 2.497 10 30 CEEERN COc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(F)c1 ZINC000225123653 329247502 /nfs/dbraw/zinc/24/75/02/329247502.db2.gz YFOYLRHHWSWYLG-TVQRCGJNSA-N 0 0 262.284 2.256 10 30 CEEERN CCC(=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000536949893 330382087 /nfs/dbraw/zinc/38/20/87/330382087.db2.gz DHRCEYWGNWMOCP-CYBMUJFWSA-N 0 0 256.305 2.280 10 30 CEEERN CC(C#N)C(=O)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000536951400 330382368 /nfs/dbraw/zinc/38/23/68/330382368.db2.gz VDHUZZWLUAXWCJ-WDEREUQCSA-N 0 0 274.295 2.297 10 30 CEEERN Cc1ccc(N2CCC[C@H](C(=O)CC#N)C2=O)cc1 ZINC000536951519 330382389 /nfs/dbraw/zinc/38/23/89/330382389.db2.gz VNKXNBIHDQWOGX-CYBMUJFWSA-N 0 0 256.305 2.221 10 30 CEEERN C=CCOc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C)cc1 ZINC000384771538 336131095 /nfs/dbraw/zinc/13/10/95/336131095.db2.gz BUQVNMGYBGLFFN-WFASDCNBSA-N 0 0 275.348 2.237 10 30 CEEERN CC(C)NC(=O)N[C@@H](C)c1ccc(C#CCCO)cc1 ZINC000049589842 519712336 /nfs/dbraw/zinc/71/23/36/519712336.db2.gz IPVNQBFZMPCMIJ-ZDUSSCGKSA-N 0 0 274.364 2.189 10 30 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CEEERN CCc1nccn1Cc1ccc(OC)c(C#CCCO)c1 ZINC000049619704 522587897 /nfs/dbraw/zinc/58/78/97/522587897.db2.gz AHFLVJWWISKALB-UHFFFAOYSA-N 0 0 284.359 2.236 10 30 CEEERN COCc1cc(/C=C/C(=O)c2ccnn2C)ccc1OC ZINC000008511955 522904263 /nfs/dbraw/zinc/90/42/63/522904263.db2.gz UNJONLDAMHTGNP-GQCTYLIASA-N 0 0 286.331 2.471 10 30 CEEERN CN(Cc1ccc(C#CCO)cc1)C(=O)c1cccs1 ZINC000049588295 523206020 /nfs/dbraw/zinc/20/60/20/523206020.db2.gz CJHDYKJHYRBTTI-UHFFFAOYSA-N 0 0 285.368 2.364 10 30 CEEERN CN(Cc1ccc(C#CCO)cc1)CC(F)(F)F ZINC000049613444 523208025 /nfs/dbraw/zinc/20/80/25/523208025.db2.gz FLKFTKHVAUKLCN-UHFFFAOYSA-N 0 0 257.255 2.025 10 30 CEEERN COc1ccc(C#CCO)cc1NC(=O)C1CCCC1 ZINC000049589055 523520650 /nfs/dbraw/zinc/52/06/50/523520650.db2.gz FLNKJNBRMUUSRJ-UHFFFAOYSA-N 0 0 273.332 2.168 10 30 CEEERN CN(c1ccc(F)cc1)c1ccnc(/C(N)=N/O)c1 ZINC000061813823 523639677 /nfs/dbraw/zinc/63/96/77/523639677.db2.gz ZBFFICPSYVJTMV-UHFFFAOYSA-N 0 0 260.272 2.083 10 30 CEEERN 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255.365 2.459 10 30 CEEERN C[C@]1(c2ccccc2)CC(=O)N(CCCC#N)C1=O ZINC000054138702 525321857 /nfs/dbraw/zinc/32/18/57/525321857.db2.gz VIRXBQMNQQRDRM-OAHLLOKOSA-N 0 0 256.305 2.007 10 30 CEEERN C[C@@H]1Oc2ccccc2N(Cc2cccnc2C#N)C1=O ZINC000061664664 525617101 /nfs/dbraw/zinc/61/71/01/525617101.db2.gz IWXFMGCLSXOGOG-NSHDSACASA-N 0 0 279.299 2.267 10 30 CEEERN Cc1ccoc1C(=O)N(C)Cc1ccc(C#CCO)cc1 ZINC000049588307 525775635 /nfs/dbraw/zinc/77/56/35/525775635.db2.gz KEJPRVCWJBHYJG-UHFFFAOYSA-N 0 0 283.327 2.204 10 30 CEEERN Cc1cc(C#CCCO)ccc1NC(=O)NC1CC1 ZINC000054457827 526177872 /nfs/dbraw/zinc/17/78/72/526177872.db2.gz BXKUDWPVDJIIRF-UHFFFAOYSA-N 0 0 258.321 2.013 10 30 CEEERN Cc1csc(CNc2ncc([N+](=O)[O-])cc2C#N)n1 ZINC000049957179 526363438 /nfs/dbraw/zinc/36/34/38/526363438.db2.gz RCECUDUQNSJESL-UHFFFAOYSA-N 0 0 275.293 2.239 10 30 CEEERN Cc1nnc(Sc2cc(Cl)ccc2/C(N)=N/O)o1 ZINC000062789767 526390903 /nfs/dbraw/zinc/39/09/03/526390903.db2.gz CZQMNWKOIRIHQW-UHFFFAOYSA-N 0 0 284.728 2.277 10 30 CEEERN N#C[C@](N)(CN1CC[C@H](c2ccccc2)C1)C1CC1 ZINC000069082255 526514564 /nfs/dbraw/zinc/51/45/64/526514564.db2.gz IBYGLKFUNVEIHM-HOCLYGCPSA-N 0 0 255.365 2.107 10 30 CEEERN N#Cc1cc(CN2C(=O)C(=O)c3c2cccc3Cl)ccn1 ZINC000068756080 526547711 /nfs/dbraw/zinc/54/77/11/526547711.db2.gz UGEAVDUFRCBADH-UHFFFAOYSA-N 0 0 297.701 2.336 10 30 CEEERN N#Cc1cc(N2CC(=O)Nc3ccccc32)ccn1 ZINC000061814901 526564696 /nfs/dbraw/zinc/56/46/96/526564696.db2.gz UDKPLAXLICPWPY-UHFFFAOYSA-N 0 0 250.261 2.043 10 30 CEEERN O=C(NCc1cc(C#CCO)ccc1F)c1cccs1 ZINC000049588805 526639211 /nfs/dbraw/zinc/63/92/11/526639211.db2.gz BCTTXSHMDBDRKD-UHFFFAOYSA-N 0 0 289.331 2.161 10 30 CEEERN O=C(NCc1cccc(C#CCO)c1)NC1CCCCC1 ZINC000049589779 526711072 /nfs/dbraw/zinc/71/10/72/526711072.db2.gz GXOJQTZEGMJTHG-UHFFFAOYSA-N 0 0 286.375 2.162 10 30 CEEERN N#Cc1cccc(NC(=O)N2CCC[C@H]2CCCO)c1 ZINC000052760673 526718866 /nfs/dbraw/zinc/71/88/66/526718866.db2.gz QVGRCFACUUFDEU-AWEZNQCLSA-N 0 0 273.336 2.327 10 30 CEEERN 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527530157 /nfs/dbraw/zinc/53/01/57/527530157.db2.gz ACAJIRPEYQTBLQ-UHFFFAOYSA-N 0 0 267.317 2.386 10 30 CEEERN OCCC#Cc1cc(CN2CCSCC2)ccc1F ZINC000049617041 527530734 /nfs/dbraw/zinc/53/07/34/527530734.db2.gz LXSLZMDBZMYGHQ-UHFFFAOYSA-N 0 0 279.380 2.108 10 30 CEEERN CC(C)c1nnc(CNC(=O)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000329845227 528412367 /nfs/dbraw/zinc/41/23/67/528412367.db2.gz QFFQLVXOMOPWJL-NXEZZACHSA-N 0 0 298.412 2.185 10 30 CEEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn2ccncc12 ZINC000329255204 528833799 /nfs/dbraw/zinc/83/37/99/528833799.db2.gz BIINOPLBCIIRDM-RISCZKNCSA-N 0 0 288.351 2.095 10 30 CEEERN CC(C)[C@@H](C#N)C(=O)N1CCN(c2ccccc2)CC1 ZINC000044810103 535124486 /nfs/dbraw/zinc/12/44/86/535124486.db2.gz XPNRIMNGYCWZLP-OAHLLOKOSA-N 0 0 271.364 2.131 10 30 CEEERN N#CCC(=O)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000536951211 566980722 /nfs/dbraw/zinc/98/07/22/566980722.db2.gz RJFKXKPIGPQHNI-GFCCVEGCSA-N 0 0 260.268 2.051 10 30 CEEERN CCC(=O)[C@@H]1CCCN(c2ccc(C#N)c(F)c2)C1=O ZINC000536951127 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CEEERN C=C(Cl)CN1CCN(Cc2cnc(C)s2)CC1 ZINC000105911154 186088589 /nfs/dbraw/zinc/08/85/89/186088589.db2.gz ROEDPUOHILXTFD-UHFFFAOYSA-N 0 0 271.817 2.322 10 30 CEEERN C#CCn1c(N)c(-c2ccc(OC)cc2)nc1CC ZINC000106834145 186139179 /nfs/dbraw/zinc/13/91/79/186139179.db2.gz BYXSDUPRPJRZCQ-UHFFFAOYSA-N 0 0 255.321 2.337 10 30 CEEERN C#CCNCc1nc(-c2nccc3ccccc32)no1 ZINC000092481514 180394938 /nfs/dbraw/zinc/39/49/38/180394938.db2.gz PXTNIFNXGZUIDL-UHFFFAOYSA-N 0 0 264.288 2.008 10 30 CEEERN C#CCN(CCC)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000108910300 186236080 /nfs/dbraw/zinc/23/60/80/186236080.db2.gz BHIHIEPFHBXVHY-UHFFFAOYSA-N 0 0 260.293 2.389 10 30 CEEERN N#CCCN(C(=O)c1cc(N)c2ccccc2n1)C1CC1 ZINC000109592885 186265080 /nfs/dbraw/zinc/26/50/80/186265080.db2.gz RKHQWZJXSPPDMI-UHFFFAOYSA-N 0 0 280.331 2.335 10 30 CEEERN COCCN(CCC#N)c1ccc(N)c2cccnc21 ZINC000109372960 186250853 /nfs/dbraw/zinc/25/08/53/186250853.db2.gz QIRZWNHBFHRILD-UHFFFAOYSA-N 0 0 270.336 2.183 10 30 CEEERN CC[C@H](C#N)N1CCN(C(=O)c2ccccc2C)CC1 ZINC000109445894 186253366 /nfs/dbraw/zinc/25/33/66/186253366.db2.gz RFEPPBNBOQULKE-CQSZACIVSA-N 0 0 271.364 2.055 10 30 CEEERN CCC[C@H](C#N)N1CCN(CC#Cc2ccccc2)CC1 ZINC000109458078 186253708 /nfs/dbraw/zinc/25/37/08/186253708.db2.gz RROZWWRFYXDBDI-GOSISDBHSA-N 0 0 281.403 2.348 10 30 CEEERN CCc1ccc(CN2CCN([C@@H](C)C#N)CC2)s1 ZINC000109452603 186254178 /nfs/dbraw/zinc/25/41/78/186254178.db2.gz XYXSNBOBMYVNTH-LBPRGKRZSA-N 0 0 263.410 2.340 10 30 CEEERN C[C@H]1CCCN(C(=O)c2ccc(C#CCO)c(F)c2)CC1 ZINC000110817724 186326092 /nfs/dbraw/zinc/32/60/92/186326092.db2.gz LRGHGDIZEKTXLA-ZDUSSCGKSA-N 0 0 289.350 2.432 10 30 CEEERN OCC#Cc1cc(F)ccc1CSc1cnccn1 ZINC000110914232 186331980 /nfs/dbraw/zinc/33/19/80/186331980.db2.gz WJPGUKDFYNIDLR-UHFFFAOYSA-N 0 0 274.320 2.252 10 30 CEEERN Cc1n[nH]c(C)c1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000110935692 186334414 /nfs/dbraw/zinc/33/44/14/186334414.db2.gz JHJZYJJETJBIGU-UHFFFAOYSA-N 0 0 271.280 2.419 10 30 CEEERN N#CCc1nc2ccccc2n1CC[C@@H](C#N)NC1CC1 ZINC000110952214 186336340 /nfs/dbraw/zinc/33/63/40/186336340.db2.gz MKMWWAZVAQTLLQ-ZDUSSCGKSA-N 0 0 279.347 2.137 10 30 CEEERN CCCN[C@](C)(C#N)Cn1c2ccccc2nc1CC#N ZINC000110952304 186337159 /nfs/dbraw/zinc/33/71/59/186337159.db2.gz WBWUEIYJXCHMMD-MRXNPFEDSA-N 0 0 281.363 2.384 10 30 CEEERN CC[C@@H]1CC[C@H](C#N)[C@H](SCCS(C)(=O)=O)C1 ZINC000111004783 186340703 /nfs/dbraw/zinc/34/07/03/186340703.db2.gz CQVDACJQTWBNKS-IJLUTSLNSA-N 0 0 275.439 2.483 10 30 CEEERN O=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(C#CCO)c1 ZINC000111102217 186353141 /nfs/dbraw/zinc/35/31/41/186353141.db2.gz BRGLUKJLKPJXFS-ZMSDIMECSA-N 0 0 283.371 2.196 10 30 CEEERN CCCN[C@](C)(C#N)CCCOCCOCCC ZINC000111110212 186353335 /nfs/dbraw/zinc/35/33/35/186353335.db2.gz WGUZAVRHHROLNQ-AWEZNQCLSA-N 0 0 256.390 2.492 10 30 CEEERN OCC#Cc1cccc(CSc2ccncn2)c1 ZINC000111115010 186353998 /nfs/dbraw/zinc/35/39/98/186353998.db2.gz QXORNSFKISVGFH-UHFFFAOYSA-N 0 0 256.330 2.113 10 30 CEEERN CSc1nn(-c2ccc(F)cc2C)c(N)c1C#N ZINC000111739158 186453127 /nfs/dbraw/zinc/45/31/27/186453127.db2.gz LJDRBXXLUVINIA-UHFFFAOYSA-N 0 0 262.313 2.496 10 30 CEEERN CCCN[C@H](C#N)CN1CCN(c2cccc(C)c2)CC1 ZINC000045305534 535187847 /nfs/dbraw/zinc/18/78/47/535187847.db2.gz JJNRZIVZZOKSLP-MRXNPFEDSA-N 0 0 286.423 2.009 10 30 CEEERN C=CCC(CC=C)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000150777930 187926393 /nfs/dbraw/zinc/92/63/93/187926393.db2.gz ODMWJTSUJXLCDM-CQSZACIVSA-N 0 0 288.395 2.285 10 30 CEEERN CN1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)C[C@@H]1C#N ZINC000336363721 282896685 /nfs/dbraw/zinc/89/66/85/282896685.db2.gz AKFNMSWKTCDULJ-KGLIPLIRSA-N 0 0 277.412 2.259 10 30 CEEERN CCOC(=O)c1c(OC(F)(F)F)ccc(O)c1C#N ZINC000575391429 366268426 /nfs/dbraw/zinc/26/84/26/366268426.db2.gz GQJDBYKUCROAAC-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)c1cc(C#N)c(C(F)(F)F)c(C=O)c1 ZINC000575391764 366269676 /nfs/dbraw/zinc/26/96/76/366269676.db2.gz STYACLQKDAXACS-UHFFFAOYSA-N 0 0 257.167 2.176 10 30 CEEERN CCOC(=O)c1cc(OC(F)(F)F)c(C=O)cc1C#N ZINC000575391642 366269819 /nfs/dbraw/zinc/26/98/19/366269819.db2.gz ZINIOHMWUZKMBL-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN CCOC(=O)c1cc(C#N)cc(OC(F)(F)F)c1O ZINC000575391870 366270028 /nfs/dbraw/zinc/27/00/28/366270028.db2.gz SIPHLJVRUVLCEU-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN COC(=O)Cc1ccc(C(F)(F)F)c(OC)c1C#N ZINC000575394866 366274031 /nfs/dbraw/zinc/27/40/31/366274031.db2.gz QMMHOLKSJFPNAG-UHFFFAOYSA-N 0 0 273.210 2.301 10 30 CEEERN COC(=O)Cc1c(C#N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575395623 366275914 /nfs/dbraw/zinc/27/59/14/366275914.db2.gz KNZSSGLZHRJBFD-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN N#Cc1ccc2ncc(CN3CCO[C@@H]4CCCC[C@@H]43)n2c1 ZINC000091978931 283201309 /nfs/dbraw/zinc/20/13/09/283201309.db2.gz QFJMPLQYXZXZLX-JKSUJKDBSA-N 0 0 296.374 2.349 10 30 CEEERN N#CCc1ccc(C#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575641049 366308314 /nfs/dbraw/zinc/30/83/14/366308314.db2.gz MMFHWYSVQOVEPZ-UHFFFAOYSA-N 0 0 253.164 2.134 10 30 CEEERN N#Cc1c(N)cc(Cl)cc1I ZINC000575720326 366345748 /nfs/dbraw/zinc/34/57/48/366345748.db2.gz KWTWPCKESISXBM-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN N#Cc1cc(Cl)cc(N)c1I ZINC000575721070 366346715 /nfs/dbraw/zinc/34/67/15/366346715.db2.gz WJCCAMOCKPVRKC-UHFFFAOYSA-N 0 0 278.480 2.398 10 30 CEEERN N#CCc1c(N)c([N+](=O)[O-])ccc1Br ZINC000575715261 366343152 /nfs/dbraw/zinc/34/31/52/366343152.db2.gz YYPVRJNNEOIFMG-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN Cc1c(I)ccc(N)c1CC#N ZINC000575718332 366344442 /nfs/dbraw/zinc/34/44/42/366344442.db2.gz FANDXKJSIZAXRW-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN N#CCc1cc(F)c(N)cc1I ZINC000575719109 366344455 /nfs/dbraw/zinc/34/44/55/366344455.db2.gz WNXGLJKEAIEDGT-UHFFFAOYSA-N 0 0 276.052 2.079 10 30 CEEERN Cc1ccc(I)c(N)c1CC#N ZINC000575718789 366344559 /nfs/dbraw/zinc/34/45/59/366344559.db2.gz KOAHNYKNUJUTBQ-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN N#Cc1cnccc1-c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000211527743 283243946 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N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000061888921 294821380 /nfs/dbraw/zinc/82/13/80/294821380.db2.gz KLJRSUHETVQOSZ-JOYOIKCWSA-N 0 0 250.248 2.387 10 30 CEEERN COc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)ccc1F ZINC000130609967 327158895 /nfs/dbraw/zinc/15/88/95/327158895.db2.gz YLKJYGQKNUYRGR-JQWIXIFHSA-N 0 0 262.284 2.256 10 30 CEEERN COc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)c(F)c1 ZINC000225123692 329247614 /nfs/dbraw/zinc/24/76/14/329247614.db2.gz YFOYLRHHWSWYLG-ZANVPECISA-N 0 0 262.284 2.256 10 30 CEEERN C#CCC(C)(C)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000185864216 329333946 /nfs/dbraw/zinc/33/39/46/329333946.db2.gz XFMVFBZTFSAURP-CQSZACIVSA-N 0 0 272.348 2.111 10 30 CEEERN C=CCC1(C(=O)N2CCN3CCCC[C@H]3C2)CCC1 ZINC000190439007 329396902 /nfs/dbraw/zinc/39/69/02/329396902.db2.gz NNZCVGRZGDCJMU-AWEZNQCLSA-N 0 0 262.397 2.430 10 30 CEEERN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nnc2n1CCCC2 ZINC000248914440 329902174 /nfs/dbraw/zinc/90/21/74/329902174.db2.gz VWRCDPDBQNDVGG-YNEHKIRRSA-N 0 0 273.384 2.347 10 30 CEEERN C#CCN(Cc1nnc(C(C)C)n1C)C1CCCC1 ZINC000176390139 333041670 /nfs/dbraw/zinc/04/16/70/333041670.db2.gz KIOKKCKXFFWXSM-UHFFFAOYSA-N 0 0 260.385 2.316 10 30 CEEERN CCNc1ccc(CN(C)CCC#N)cc1[N+](=O)[O-] ZINC000050791746 520299638 /nfs/dbraw/zinc/29/96/38/520299638.db2.gz KBAYOJKNAVUOGX-UHFFFAOYSA-N 0 0 262.313 2.372 10 30 CEEERN CCCCNC(=O)[C@@H](C)Nc1ccc(F)c(C#N)c1 ZINC000051636721 520651005 /nfs/dbraw/zinc/65/10/05/520651005.db2.gz BGZKGGZKYWRKLZ-SNVBAGLBSA-N 0 0 263.316 2.414 10 30 CEEERN CN[C@](C#N)(CN1CCCc2ccccc21)C1CC1 ZINC000069076790 522509583 /nfs/dbraw/zinc/50/95/83/522509583.db2.gz UUIRKCZSMIYBBV-MRXNPFEDSA-N 0 0 255.365 2.331 10 30 CEEERN C#CCOC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000056923066 518305043 /nfs/dbraw/zinc/30/50/43/518305043.db2.gz PDURIJRPYYTMSW-GFCCVEGCSA-N 0 0 293.313 2.467 10 30 CEEERN CC(C)N[C@](C#N)(Cn1cc(Br)cn1)C1CC1 ZINC000069084344 519739339 /nfs/dbraw/zinc/73/93/39/519739339.db2.gz JCPQURHKQBATPI-GFCCVEGCSA-N 0 0 297.200 2.316 10 30 CEEERN CCC1CCC(C#N)(NC(=O)c2ccnn2C)CC1 ZINC000061665461 519850105 /nfs/dbraw/zinc/85/01/05/519850105.db2.gz ZFTMFDCXQJIMKK-UHFFFAOYSA-N 0 0 260.341 2.012 10 30 CEEERN CCCC1CCN(C(=O)c2cncc(C#CCO)c2)CC1 ZINC000050907096 519900856 /nfs/dbraw/zinc/90/08/56/519900856.db2.gz CVSJOTPZWZNLTI-UHFFFAOYSA-N 0 0 286.375 2.078 10 30 CEEERN CCCN[C@@H](C#N)CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062448746 519984448 /nfs/dbraw/zinc/98/44/48/519984448.db2.gz IMALFGVKCPCGMC-LLVKDONJSA-N 0 0 281.287 2.395 10 30 CEEERN CCCN[C@@](C#N)(COCCOCCC)C1CC1 ZINC000069089549 520028699 /nfs/dbraw/zinc/02/86/99/520028699.db2.gz ZDAVFYAJAYSGRW-AWEZNQCLSA-N 0 0 254.374 2.102 10 30 CEEERN CCN[C@@H](C#N)CCn1ccnc1-c1ccccc1 ZINC000062440405 520058247 /nfs/dbraw/zinc/05/82/47/520058247.db2.gz SRLNYRUUXGQBHO-CQSZACIVSA-N 0 0 254.337 2.442 10 30 CEEERN CCCN[C@](C#N)(CO[C@@H](C)COC)c1ccccc1 ZINC000070208754 520101075 /nfs/dbraw/zinc/10/10/75/520101075.db2.gz FVJRDVKVUFEYCK-GOEBONIOSA-N 0 0 276.380 2.457 10 30 CEEERN CCN(C(=O)c1cncc(C#CCCO)c1)C1CCCC1 ZINC000049628593 520116256 /nfs/dbraw/zinc/11/62/56/520116256.db2.gz LGFXDBAKVAEODP-UHFFFAOYSA-N 0 0 286.375 2.220 10 30 CEEERN CCN[C@@](C#N)(COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000069087959 520127731 /nfs/dbraw/zinc/12/77/31/520127731.db2.gz CQHXRTRUJSNGSB-AWEZNQCLSA-N 0 0 275.308 2.255 10 30 CEEERN CCN[C@@](C#N)(COc1ccc(OC)cc1)C1CC1 ZINC000069087492 520128131 /nfs/dbraw/zinc/12/81/31/520128131.db2.gz NFRQDHSRRGXRCC-HNNXBMFYSA-N 0 0 260.337 2.356 10 30 CEEERN CCCNc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1 ZINC000050742352 520151826 /nfs/dbraw/zinc/15/18/26/520151826.db2.gz KZDJKYQGQMUCGT-UHFFFAOYSA-N 0 0 281.319 2.422 10 30 CEEERN CC1(C)CC(=O)N(Cc2ccc(C#N)cc2F)C(=O)C1 ZINC000061828229 520272300 /nfs/dbraw/zinc/27/23/00/520272300.db2.gz JXTYBTZXTVCPBL-UHFFFAOYSA-N 0 0 274.295 2.373 10 30 CEEERN CCNc1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1 ZINC000050672232 520319655 /nfs/dbraw/zinc/31/96/55/520319655.db2.gz DLRBFZPTYYLBCV-UHFFFAOYSA-N 0 0 293.392 2.185 10 30 CEEERN CCCCN(C(=O)c1ccc(C#CCO)cn1)[C@@H](C)CC ZINC000061862805 520357959 /nfs/dbraw/zinc/35/79/59/520357959.db2.gz LTYWCBKSGWAYLQ-AWEZNQCLSA-N 0 0 288.391 2.466 10 30 CEEERN CCN(CC(=O)OC)c1cc(C#N)c2ccccc2n1 ZINC000068771596 520384887 /nfs/dbraw/zinc/38/48/87/520384887.db2.gz LNDXYFGOKYJLOO-UHFFFAOYSA-N 0 0 269.304 2.106 10 30 CEEERN CC1(C)Cc2cccc(OC[C@](N)(C#N)C3CC3)c2O1 ZINC000069086965 520583963 /nfs/dbraw/zinc/58/39/63/520583963.db2.gz JKSWQBMGZQNMQB-MRXNPFEDSA-N 0 0 272.348 2.410 10 30 CEEERN CC1(NS(=O)(=O)Cc2ccccc2C#N)CCCC1 ZINC000070265943 520767180 /nfs/dbraw/zinc/76/71/80/520767180.db2.gz NTECDNQNOYZKPT-UHFFFAOYSA-N 0 0 278.377 2.310 10 30 CEEERN CCC[C@H](C#N)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000051087305 520968230 /nfs/dbraw/zinc/96/82/30/520968230.db2.gz CJTFMHIVPFFEHE-CHWSQXEVSA-N 0 0 258.321 2.046 10 30 CEEERN CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000049372055 521028652 /nfs/dbraw/zinc/02/86/52/521028652.db2.gz GWMWDKMJYFBTHI-VXGBXAGGSA-N 0 0 276.336 2.191 10 30 CEEERN CCC[C@H](CC)NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000050398568 521081841 /nfs/dbraw/zinc/08/18/41/521081841.db2.gz RYEBRQVGMDOGDF-AWEZNQCLSA-N 0 0 277.339 2.478 10 30 CEEERN CCCC[C@H](C)NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000050890986 521146667 /nfs/dbraw/zinc/14/66/67/521146667.db2.gz BVRQPEQLHMGZNZ-LBPRGKRZSA-N 0 0 277.339 2.478 10 30 CEEERN CCC(C#N)(CC)C(=O)N[C@H](C(=O)OC)c1ccccc1 ZINC000050512657 521262023 /nfs/dbraw/zinc/26/20/23/521262023.db2.gz KYXYUNMOMVCEPT-ZDUSSCGKSA-N 0 0 288.347 2.347 10 30 CEEERN CC[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#CCO)c1 ZINC000049588958 521919682 /nfs/dbraw/zinc/91/96/82/521919682.db2.gz QCAVGGBXEYCSIF-OLZOCXBDSA-N 0 0 259.349 2.254 10 30 CEEERN CC[C@@H](C)CNC(=O)c1cc(F)ccc1C#CCCO ZINC000054490947 521993229 /nfs/dbraw/zinc/99/32/29/521993229.db2.gz DCWOWKFKYBXTNB-GFCCVEGCSA-N 0 0 277.339 2.336 10 30 CEEERN CC[C@H](CC1CC1)NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000070108683 522120059 /nfs/dbraw/zinc/12/00/59/522120059.db2.gz SMJHGUAAJJXPGP-OAHLLOKOSA-N 0 0 289.350 2.478 10 30 CEEERN COC[C@@H](C)OC[C@@](C#N)(NC1CC1)c1ccccc1 ZINC000070208761 522257952 /nfs/dbraw/zinc/25/79/52/522257952.db2.gz DMPKNWFVDCUCAI-CZUORRHYSA-N 0 0 274.364 2.209 10 30 CEEERN CN(C)c1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061888374 522259783 /nfs/dbraw/zinc/25/97/83/522259783.db2.gz QMAUVUBULAFYSK-JSGCOSHPSA-N 0 0 257.337 2.175 10 30 CEEERN CN(C)c1nc(Cl)nc(Oc2ccc(CC#N)cc2)n1 ZINC000061520904 522325747 /nfs/dbraw/zinc/32/57/47/522325747.db2.gz OXZZWLOOUDTWCG-UHFFFAOYSA-N 0 0 289.726 2.449 10 30 CEEERN CNc1c(Cl)cc(C(=O)N(C)CCC#N)cc1[N+](=O)[O-] ZINC000050722490 522541404 /nfs/dbraw/zinc/54/14/04/522541404.db2.gz PFPJUPULBSKZGN-UHFFFAOYSA-N 0 0 296.714 2.276 10 30 CEEERN CNc1ncccc1COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052755739 522708753 /nfs/dbraw/zinc/70/87/53/522708753.db2.gz AXLKKSCUUIHSAM-UHFFFAOYSA-N 0 0 284.275 2.482 10 30 CEEERN CCn1c(S[C@@H]2CCCCC[C@H]2C#N)n[nH]c1=O ZINC000061595368 523244649 /nfs/dbraw/zinc/24/46/49/523244649.db2.gz FOYQSCFVUREMHM-VHSXEESVSA-N 0 0 266.370 2.156 10 30 CEEERN COC(=O)Cc1nc(-c2cccc(C#N)c2)cs1 ZINC000070092541 523380669 /nfs/dbraw/zinc/38/06/69/523380669.db2.gz RDMPWPZMMBQQSW-UHFFFAOYSA-N 0 0 258.302 2.397 10 30 CEEERN COc1ccc(C#CCO)cc1NC(=O)c1ccc(C)o1 ZINC000049589024 523519722 /nfs/dbraw/zinc/51/97/22/523519722.db2.gz JVEUQZIBVUTDIC-UHFFFAOYSA-N 0 0 285.299 2.193 10 30 CEEERN COc1ccc(C(=O)CCC(=O)NC(C)(C)C#N)cc1 ZINC000062060982 523577754 /nfs/dbraw/zinc/57/77/54/523577754.db2.gz BHHGRKDUTXEPGD-UHFFFAOYSA-N 0 0 274.320 2.076 10 30 CEEERN CC[C@H](C)CNC(=O)c1ccc(C#CCCO)cc1F ZINC000054490958 523884163 /nfs/dbraw/zinc/88/41/63/523884163.db2.gz YRHODTTVEZBWAX-LBPRGKRZSA-N 0 0 277.339 2.336 10 30 CEEERN CN(C(=O)c1cncc(C#CCCO)c1)C1CCCCC1 ZINC000049628306 523959877 /nfs/dbraw/zinc/95/98/77/523959877.db2.gz NMPYFQSOGDYOPC-UHFFFAOYSA-N 0 0 286.375 2.220 10 30 CEEERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cncc(C#CCCO)c1 ZINC000049628359 524276900 /nfs/dbraw/zinc/27/69/00/524276900.db2.gz JTWMPEDXOHUHSE-ZIAGYGMSSA-N 0 0 286.375 2.219 10 30 CEEERN C[C@H]1CCN(c2cccc(Cl)c2/C(N)=N/O)C1 ZINC000052904646 524307865 /nfs/dbraw/zinc/30/78/65/524307865.db2.gz YFTDCUVKTYSVEJ-QMMMGPOBSA-N 0 0 253.733 2.281 10 30 CEEERN C[C@@H](C/C(N)=N/O)NC(=O)c1csc2ccccc12 ZINC000050389419 524309648 /nfs/dbraw/zinc/30/96/48/524309648.db2.gz VLJATNBLVUXFRO-QMMMGPOBSA-N 0 0 277.349 2.156 10 30 CEEERN Cc1cc(C)c(OC[C@@H](C#N)NC2CC2)c([N+](=O)[O-])c1 ZINC000050441996 524311775 /nfs/dbraw/zinc/31/17/75/524311775.db2.gz JUSBTMWJBVBQLJ-GFCCVEGCSA-N 0 0 275.308 2.235 10 30 CEEERN C[C@H](N(C)c1ccnc(/C(N)=N/O)c1)C(C)(C)C ZINC000061813799 524818549 /nfs/dbraw/zinc/81/85/49/524818549.db2.gz IJYKTHXMTDLMEK-VIFPVBQESA-N 0 0 250.346 2.047 10 30 CEEERN Cc1cc([N+](=O)[O-])c(C)cc1OC[C@](N)(C#N)C1CC1 ZINC000069089360 525557609 /nfs/dbraw/zinc/55/76/09/525557609.db2.gz AYKDXIUCZLIPDW-CQSZACIVSA-N 0 0 275.308 2.222 10 30 CEEERN C[C@@H](c1ccc(C#CCCO)cc1)N1CCCCC1=O ZINC000049591071 526036353 /nfs/dbraw/zinc/03/63/53/526036353.db2.gz NYLVQSCXFUOELQ-AWEZNQCLSA-N 0 0 271.360 2.494 10 30 CEEERN C[C@@H](c1cccc(C#CCCO)c1)N1CCCCC1=O ZINC000049591095 526065018 /nfs/dbraw/zinc/06/50/18/526065018.db2.gz MKGGWODIOZYLOL-AWEZNQCLSA-N 0 0 271.360 2.494 10 30 CEEERN C[C@H](C/C(N)=N/O)Sc1ccc([N+](=O)[O-])cc1 ZINC000048258895 526196065 /nfs/dbraw/zinc/19/60/65/526196065.db2.gz LMXLNZVTOGNVCP-SSDOTTSWSA-N 0 0 255.299 2.212 10 30 CEEERN C[C@H]1CCCN(C(=O)c2ccc(C#CCO)cc2)[C@H]1C ZINC000050568424 526266696 /nfs/dbraw/zinc/26/66/96/526266696.db2.gz HBLMMJDRWYEAPA-KBPBESRZSA-N 0 0 271.360 2.291 10 30 CEEERN Oc1ccc(C=NNc2nc3ccccc3[nH]2)c(O)c1 ZINC000051074494 526339759 /nfs/dbraw/zinc/33/97/59/526339759.db2.gz CBZCKXFXCIWKBO-NVNXTCNLSA-N 0 0 268.276 2.420 10 30 CEEERN Cc1nnc(SCc2ccc(C#CCO)cc2F)o1 ZINC000051038643 526386695 /nfs/dbraw/zinc/38/66/95/526386695.db2.gz KOTLADURZWHIII-UHFFFAOYSA-N 0 0 278.308 2.153 10 30 CEEERN N#CC1(NC[C@@H]2CCCO2)C2CC3CC(C2)CC1C3 ZINC000055026490 526438814 /nfs/dbraw/zinc/43/88/14/526438814.db2.gz UCQPUQMIAPXGBP-CGAUPDFVSA-N 0 0 260.381 2.473 10 30 CEEERN N#CCCN(C(=O)c1ccc2c[nH]nc2c1)C1CC1 ZINC000061670478 526453446 /nfs/dbraw/zinc/45/34/46/526453446.db2.gz FFCPQISIFZOJNH-UHFFFAOYSA-N 0 0 254.293 2.081 10 30 CEEERN N#C[C@@H](C(=O)[C@@H]1CCCCO1)c1ccc2c(c1)OCCO2 ZINC000050963948 526493275 /nfs/dbraw/zinc/49/32/75/526493275.db2.gz NYYWXFQHPIJOKS-OCCSQVGLSA-N 0 0 287.315 2.203 10 30 CEEERN N#C[C@@H](N)CSc1cccc(Br)c1 ZINC000055309189 526495344 /nfs/dbraw/zinc/49/53/44/526495344.db2.gz GKMCMVHXCMGOCV-MRVPVSSYSA-N 0 0 257.156 2.392 10 30 CEEERN N#C[C@H](CN1CC[C@@H](c2ccccc2)C1)NC1CC1 ZINC000050601025 526508665 /nfs/dbraw/zinc/50/86/65/526508665.db2.gz FCVMLOUFXRUQRO-GDBMZVCRSA-N 0 0 255.365 2.120 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCCN2 ZINC000061890731 526513799 /nfs/dbraw/zinc/51/37/99/526513799.db2.gz ILPYIRXWWPEAIM-HIFRSBDPSA-N 0 0 269.348 2.467 10 30 CEEERN N#C[C@](CN(CC(F)(F)F)C1CC1)(NC1CC1)C1CC1 ZINC000069079148 526514794 /nfs/dbraw/zinc/51/47/94/526514794.db2.gz GDUOAXFDSJAXHX-CYBMUJFWSA-N 0 0 287.329 2.437 10 30 CEEERN N#C[C@](N)(Cn1ccnc1-c1ccccc1)C1CC1 ZINC000069084388 526515087 /nfs/dbraw/zinc/51/50/87/526515087.db2.gz ARGSCVLTOCWKNL-HNNXBMFYSA-N 0 0 252.321 2.181 10 30 CEEERN N#Cc1c(F)cccc1NC(=O)c1ccc(NN)cc1 ZINC000051090419 526524720 /nfs/dbraw/zinc/52/47/20/526524720.db2.gz OLNKTBPNSQLTNQ-UHFFFAOYSA-N 0 0 270.267 2.235 10 30 CEEERN N#Cc1cc(N)cnc1N[C@H]1CCOc2ccccc21 ZINC000051987144 526564898 /nfs/dbraw/zinc/56/48/98/526564898.db2.gz SZUHSWYJKKWZFE-ZDUSSCGKSA-N 0 0 266.304 2.471 10 30 CEEERN N#Cc1ccc(Cl)cc1NC[C@@H]1CCS(=O)(=O)C1 ZINC000062785355 526634806 /nfs/dbraw/zinc/63/48/06/526634806.db2.gz LQOUCMKNJPISGG-VIFPVBQESA-N 0 0 284.768 2.058 10 30 CEEERN N#Cc1ccc(Nc2ccc(Cn3ccnc3)cc2)nn1 ZINC000156748463 526667887 /nfs/dbraw/zinc/66/78/87/526667887.db2.gz KKIILUNDRZMZQB-UHFFFAOYSA-N 0 0 276.303 2.337 10 30 CEEERN N#Cc1ccc(Sc2n[nH]c(=O)n2C2CC2)c(F)c1 ZINC000061595312 526686838 /nfs/dbraw/zinc/68/68/38/526686838.db2.gz TXGJGLUVOSHAQM-UHFFFAOYSA-N 0 0 276.296 2.068 10 30 CEEERN 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CCOC(=O)Cc1c(C#N)c(C=O)ccc1C(F)(F)F ZINC000575391008 366267212 /nfs/dbraw/zinc/26/72/12/366267212.db2.gz COKKDODZNCCCFU-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1F ZINC000575390472 366267268 /nfs/dbraw/zinc/26/72/68/366267268.db2.gz OSGWMVGJAYFPON-UHFFFAOYSA-N 0 0 261.174 2.432 10 30 CEEERN COC(=O)Cc1cc(C=O)cc(C#N)c1C(F)(F)F ZINC000575391009 366268450 /nfs/dbraw/zinc/26/84/50/366268450.db2.gz CPGKBMPCVVFOMV-UHFFFAOYSA-N 0 0 271.194 2.105 10 30 CEEERN CCOC(=O)c1ccc(C=O)c(OC(F)(F)F)c1C#N ZINC000575391617 366269951 /nfs/dbraw/zinc/26/99/51/366269951.db2.gz XURQFUMHEOGYSW-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN COC(=O)Cc1ccc(C#N)c(OC(F)(F)F)c1OC ZINC000575394926 366275164 /nfs/dbraw/zinc/27/51/64/366275164.db2.gz UIJHWLCALJESEG-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C#N ZINC000575395743 366275738 /nfs/dbraw/zinc/27/57/38/366275738.db2.gz ONCNUXTXGLDDDR-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN 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IVFLGZCGZJSTQA-AWEZNQCLSA-N 0 0 293.323 2.264 10 30 CEEERN CCCN[C@](C)(C#N)CSc1nnc2n1CCCCC2 ZINC000045218668 175330090 /nfs/dbraw/zinc/33/00/90/175330090.db2.gz QTCJWAPUTXJDOU-CQSZACIVSA-N 0 0 293.440 2.378 10 30 CEEERN CCCN[C@H](C#N)COc1ccc(C)cc1[N+](=O)[O-] ZINC000045332008 175360165 /nfs/dbraw/zinc/36/01/65/175360165.db2.gz KRKCHLXAHYAWRS-LLVKDONJSA-N 0 0 263.297 2.174 10 30 CEEERN Cc1cc(OCCC[C@@](C)(N)C#N)ccc1[N+](=O)[O-] ZINC000045331282 175360200 /nfs/dbraw/zinc/36/02/00/175360200.db2.gz ROEXJWXOQIBLAJ-CYBMUJFWSA-N 0 0 263.297 2.303 10 30 CEEERN Cc1ccc([N+](=O)[O-])cc1OCCC[C@@](C)(N)C#N ZINC000045331513 175360287 /nfs/dbraw/zinc/36/02/87/175360287.db2.gz FPRYMIODRBFBNJ-CYBMUJFWSA-N 0 0 263.297 2.303 10 30 CEEERN CN[C@](C)(C#N)CCCOc1ccc([N+](=O)[O-])cc1F ZINC000045331625 175360308 /nfs/dbraw/zinc/36/03/08/175360308.db2.gz SRMDSNYLBLONKR-ZDUSSCGKSA-N 0 0 281.287 2.395 10 30 CEEERN C=C(COc1ccc2c(c1)CCC(=O)N2)C(=O)OCC ZINC000070380589 175902103 /nfs/dbraw/zinc/90/21/03/175902103.db2.gz QZXYPEJNVZCSKY-UHFFFAOYSA-N 0 0 275.304 2.069 10 30 CEEERN C[C@H]1CCC[C@H]1NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000071210956 176083088 /nfs/dbraw/zinc/08/30/88/176083088.db2.gz ZCCNKJWCIDRNML-XHDPSFHLSA-N 0 0 275.323 2.088 10 30 CEEERN C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000071210954 176083487 /nfs/dbraw/zinc/08/34/87/176083487.db2.gz ZCCNKJWCIDRNML-NHYWBVRUSA-N 0 0 275.323 2.088 10 30 CEEERN Cc1ncsc1CNC(=O)[C@H](C#N)c1ccccc1 ZINC000071213607 176085528 /nfs/dbraw/zinc/08/55/28/176085528.db2.gz WMCWFOZYRIBLQF-GFCCVEGCSA-N 0 0 271.345 2.375 10 30 CEEERN COCCN(CCC#N)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000071225755 176089149 /nfs/dbraw/zinc/08/91/49/176089149.db2.gz FSQXCZZXNXGVPQ-UHFFFAOYSA-N 0 0 291.307 2.164 10 30 CEEERN COCCN(CCC#N)c1ccc(C)cc1[N+](=O)[O-] ZINC000071231364 176091839 /nfs/dbraw/zinc/09/18/39/176091839.db2.gz UKMJLDXMHVWIQC-UHFFFAOYSA-N 0 0 263.297 2.270 10 30 CEEERN COCCN(CCC#N)C(=O)Nc1cccc([C@@H](C)O)c1 ZINC000071232833 176092740 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/nfs/dbraw/zinc/23/02/27/176230227.db2.gz JQTRUUJMYICXMP-SNVBAGLBSA-N 0 0 267.350 2.185 10 30 CEEERN COc1ccc2c(c1)[C@@H](C#N)N(Cc1ccccn1)C2=O ZINC000071678515 176243380 /nfs/dbraw/zinc/24/33/80/176243380.db2.gz MKUJTGZAXDHIMV-OAHLLOKOSA-N 0 0 279.299 2.311 10 30 CEEERN CC[C@@H](CO)N1C(=O)c2c(cccc2Cl)C1C#N ZINC000071678892 176243861 /nfs/dbraw/zinc/24/38/61/176243861.db2.gz QICLWVWXCSHEAM-KWQFWETISA-N 0 0 264.712 2.131 10 30 CEEERN CN(C)c1ccc2c(c1)[C@@H](C#N)N(c1cccnc1)C2=O ZINC000071679117 176244156 /nfs/dbraw/zinc/24/41/56/176244156.db2.gz MZYUHMBYONFQMG-OAHLLOKOSA-N 0 0 278.315 2.373 10 30 CEEERN CN(C)c1cccc2c1C(=O)N(Cc1nccs1)[C@@H]2C#N ZINC000071679316 176244301 /nfs/dbraw/zinc/24/43/01/176244301.db2.gz FCYGMXMTJNWKDR-GFCCVEGCSA-N 0 0 298.371 2.430 10 30 CEEERN CCOC(=O)CN1C(=O)c2c(ccc(Cl)c2C)[C@@H]1C#N ZINC000071679735 176244527 /nfs/dbraw/zinc/24/45/27/176244527.db2.gz HUNCGVYKGWBZEV-NSHDSACASA-N 0 0 292.722 2.232 10 30 CEEERN COC(=O)CCN1C(=O)c2c(ccc3ccccc23)[C@@H]1C#N ZINC000071679919 176245025 /nfs/dbraw/zinc/24/50/25/176245025.db2.gz KFXIRLHLSAMNOU-AWEZNQCLSA-N 0 0 294.310 2.423 10 30 CEEERN Cc1cccc2c(=O)c(C#N)cn(CC(=O)OC(C)C)c12 ZINC000072236944 176345813 /nfs/dbraw/zinc/34/58/13/176345813.db2.gz AGQLZCJUAOYXJJ-UHFFFAOYSA-N 0 0 284.315 2.133 10 30 CEEERN Cc1ccc2c(c1)c(=O)c(C#N)cn2CC(=O)OC(C)C ZINC000072237009 176346253 /nfs/dbraw/zinc/34/62/53/176346253.db2.gz CRWOBIYHSOBVQG-UHFFFAOYSA-N 0 0 284.315 2.133 10 30 CEEERN CC(C)(C)c1ccc(S(=O)(=O)C[C@@H]2CO2)cc1 ZINC000072263872 176351873 /nfs/dbraw/zinc/35/18/73/176351873.db2.gz YQMLGKWICPIBIB-NSHDSACASA-N 0 0 254.351 2.157 10 30 CEEERN COC(=O)[C@H]1C(=O)C=C(Cl)C[C@H]1c1ccco1 ZINC000072416000 176399269 /nfs/dbraw/zinc/39/92/69/176399269.db2.gz QXYVMQPAOXPIBL-GZMMTYOYSA-N 0 0 254.669 2.248 10 30 CEEERN CC(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)o1 ZINC000074731422 176606002 /nfs/dbraw/zinc/60/60/02/176606002.db2.gz DSEGEGWNZKBEOO-UHFFFAOYSA-N 0 0 269.260 2.362 10 30 CEEERN C[C@@H]1COC[C@H](C)N1C(=O)CCc1ccc(C#N)cc1 ZINC000076362384 177003035 /nfs/dbraw/zinc/00/30/35/177003035.db2.gz SFMGWWCDSWMBCT-BETUJISGSA-N 0 0 272.348 2.127 10 30 CEEERN C#CCCOC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000076872281 177125555 /nfs/dbraw/zinc/12/55/55/177125555.db2.gz PWCXAJGZRZBDSV-RYUDHWBXSA-N 0 0 281.352 2.246 10 30 CEEERN C=CC[C@H](C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000077021404 177153805 /nfs/dbraw/zinc/15/38/05/177153805.db2.gz RDNFESVMYOTECJ-NWDGAFQWSA-N 0 0 282.384 2.324 10 30 CEEERN O=C(C[C@H]1CCCCNC1=O)NCc1ccncn1 ZINC000329170793 227337361 /nfs/dbraw/zinc/33/73/61/227337361.db2.gz KEDMGVVRQUCHTQ-SNVBAGLBSA-N 0 0 262.313 2.080 10 30 CEEERN O=C(N[C@H]1CCCc2sccc21)N1CC(O)(C2CC2)C1 ZINC000329515846 227566737 /nfs/dbraw/zinc/56/67/37/227566737.db2.gz DHERSULXRPFTJO-LBPRGKRZSA-N 0 0 292.404 2.496 10 30 CEEERN O=C(NCCC1CCOCC1)N[C@H]1CCCc2c[nH]nc21 ZINC000330069858 228032329 /nfs/dbraw/zinc/03/23/29/228032329.db2.gz HPVQDSWBUUNBIW-ZDUSSCGKSA-N 0 0 292.383 2.107 10 30 CEEERN C[C@H](C(=O)NCc1nc(C2CC2)cs1)N1CCOCC1 ZINC000330101698 228039844 /nfs/dbraw/zinc/03/98/44/228039844.db2.gz FPXXSPVYMDZXEF-SNVBAGLBSA-N 0 0 295.408 2.198 10 30 CEEERN CCc1nn(C)cc1CNC(=O)N1CC2(C1)CCCC2 ZINC000330274986 228088876 /nfs/dbraw/zinc/08/88/76/228088876.db2.gz KXOSTZNSMWJAFE-UHFFFAOYSA-N 0 0 276.384 2.273 10 30 CEEERN C=CC[C@@H](CO)Nc1nc2c(cc1C#N)CCCC2 ZINC000302125626 261347262 /nfs/dbraw/zinc/34/72/62/261347262.db2.gz ICMOYFQSQBNWPU-ZDUSSCGKSA-N 0 0 257.337 2.181 10 30 CEEERN COC[C@H](C)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000182087169 261923620 /nfs/dbraw/zinc/92/36/20/261923620.db2.gz DVNSHMUGIXKACA-QWRGUYRKSA-N 0 0 262.309 2.198 10 30 CEEERN C=CCON=C1c2ccccc2-c2nc(C#N)c(C#N)nc21 ZINC000255004285 275432854 /nfs/dbraw/zinc/43/28/54/275432854.db2.gz XLOXSIKLUAMDGU-UHFFFAOYSA-N 0 0 287.282 2.155 10 30 CEEERN CS(=O)(=O)c1ccc(-c2ccc(C#N)c(O)c2)cc1 ZINC000065341637 278118022 /nfs/dbraw/zinc/11/80/22/278118022.db2.gz XGOVUCBIGSDTHX-UHFFFAOYSA-N 0 0 273.313 2.334 10 30 CEEERN N#Cc1noc2cc(I)ccc12 ZINC000299889899 279550982 /nfs/dbraw/zinc/55/09/82/279550982.db2.gz QOCHPBJZKNEXEM-UHFFFAOYSA-N 0 0 270.029 2.304 10 30 CEEERN CN(C)C1(C#N)CCN(C(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000335690474 282025087 /nfs/dbraw/zinc/02/50/87/282025087.db2.gz HEWIXWADEVWFKC-CYBMUJFWSA-N 0 0 292.427 2.194 10 30 CEEERN CN1C(=O)C[C@@H](C#N)[C@H]1c1cnn(-c2ccc(F)cc2)c1 ZINC000216654975 289816986 /nfs/dbraw/zinc/81/69/86/289816986.db2.gz TUJRWYWTHYIVEN-BONVTDFDSA-N 0 0 284.294 2.054 10 30 CEEERN CN1CCN([C@H]2CCc3ccc(Cl)cc32)C[C@H]1C#N ZINC000336462144 290056547 /nfs/dbraw/zinc/05/65/47/290056547.db2.gz OCRZJWKCAUVNAB-HIFRSBDPSA-N 0 0 275.783 2.467 10 30 CEEERN N#Cc1cc(F)c(C(=O)N2C[C@@H]3CCC[C@H]32)c(F)c1 ZINC000336176223 294880342 /nfs/dbraw/zinc/88/03/42/294880342.db2.gz OZYGMKJRWMSWDA-JOYOIKCWSA-N 0 0 262.259 2.461 10 30 CEEERN C[C@H]1COC[C@H](C)N1C(=O)c1c(F)cc(C#N)cc1F ZINC000152849101 300361362 /nfs/dbraw/zinc/36/13/62/300361362.db2.gz QDJQMOSBJNRMNU-IUCAKERBSA-N 0 0 280.274 2.086 10 30 CEEERN CN(C)/C=C/C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000253572048 328115724 /nfs/dbraw/zinc/11/57/24/328115724.db2.gz PSIDXGYVLBMTTQ-FNORWQNLSA-N 0 0 286.291 2.039 10 30 CEEERN CC(C)c1nnc(COc2ccc(C#N)cc2)n1C ZINC000194655136 321812389 /nfs/dbraw/zinc/81/23/89/321812389.db2.gz CTJOWMIHYWAYFG-UHFFFAOYSA-N 0 0 256.309 2.389 10 30 CEEERN C=CC[C@H](CO)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000248529669 329891348 /nfs/dbraw/zinc/89/13/48/329891348.db2.gz WYHHBWCBMYZCTD-RDBSUJKOSA-N 0 0 251.370 2.256 10 30 CEEERN COc1c(CNc2ccc(CC#N)cc2)c(C)nn1C ZINC000166231958 331306798 /nfs/dbraw/zinc/30/67/98/331306798.db2.gz XHFYXIOXXNCTHC-UHFFFAOYSA-N 0 0 270.336 2.415 10 30 CEEERN CC(C)n1ncc2cc(CNC[C@H](C)C#N)cnc21 ZINC000183820297 335907295 /nfs/dbraw/zinc/90/72/95/335907295.db2.gz ACNVKIAZHADTLP-LLVKDONJSA-N 0 0 257.341 2.261 10 30 CEEERN CCN[C@@](C#N)(CSc1nnc(C)s1)C1CC1 ZINC000069092518 520127580 /nfs/dbraw/zinc/12/75/80/520127580.db2.gz WGWSWHLJATVSQG-NSHDSACASA-N 0 0 268.411 2.221 10 30 CEEERN CCCCN(CC(N)=O)[C@H](CC#N)c1ccccc1 ZINC000055020614 520453241 /nfs/dbraw/zinc/45/32/41/520453241.db2.gz KGVGJTLYFFTTDF-CQSZACIVSA-N 0 0 259.353 2.229 10 30 CEEERN CCOC(=O)[C@H](N)CCSCC#Cc1ccccc1 ZINC000069602911 521258423 /nfs/dbraw/zinc/25/84/23/521258423.db2.gz CYSDTMBWXHPBKE-CQSZACIVSA-N 0 0 277.389 2.052 10 30 CEEERN CCC(C)(C)N(C)C(=O)c1sccc1C#CCO ZINC000069461357 521301454 /nfs/dbraw/zinc/30/14/54/521301454.db2.gz CUXGAGSBWMNEJI-UHFFFAOYSA-N 0 0 265.378 2.353 10 30 CEEERN C[C@H]1N(C(=O)NCCC2CCOCC2)CCOC1(C)C ZINC000330096375 534116646 /nfs/dbraw/zinc/11/66/46/534116646.db2.gz XGCPYIMEKXVAIS-GFCCVEGCSA-N 0 0 284.400 2.216 10 30 CEEERN C#CCN[C@](C)(C(=O)OC)c1ccc(CCC)cc1 ZINC000051964458 518293019 /nfs/dbraw/zinc/29/30/19/518293019.db2.gz SIHDUEPMRRBKTD-INIZCTEOSA-N 0 0 259.349 2.250 10 30 CEEERN C=C(Br)COc1ccc2c(c1)OC[C@H]2O ZINC000062806022 518584828 /nfs/dbraw/zinc/58/48/28/518584828.db2.gz RUHAMCSXDPNPKQ-SNVBAGLBSA-N 0 0 271.110 2.400 10 30 CEEERN C=CCNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000048389235 518910040 /nfs/dbraw/zinc/91/00/40/518910040.db2.gz GZQBEZWVJQHKAL-SNVBAGLBSA-N 0 0 262.309 2.004 10 30 CEEERN C=C(CN1CCN(C)c2ccccc21)C(=O)OCC ZINC000070381503 534427024 /nfs/dbraw/zinc/42/70/24/534427024.db2.gz COLFYHGSYAOTJT-UHFFFAOYSA-N 0 0 260.337 2.062 10 30 CEEERN CC(C)CCC(=O)NCc1cccc(C#CCO)c1 ZINC000049588097 519636250 /nfs/dbraw/zinc/63/62/50/519636250.db2.gz ZNVCUPDHIIWGBF-UHFFFAOYSA-N 0 0 259.349 2.083 10 30 CEEERN CC(C)n1c(SCc2cccc(C#N)c2)n[nH]c1=O ZINC000061595465 519922456 /nfs/dbraw/zinc/92/24/56/519922456.db2.gz OMIRHYWXLKJGBR-UHFFFAOYSA-N 0 0 274.349 2.316 10 30 CEEERN CCN[C@H](C#N)CCn1ccnc1-c1ccccc1 ZINC000062440404 520161768 /nfs/dbraw/zinc/16/17/68/520161768.db2.gz SRLNYRUUXGQBHO-AWEZNQCLSA-N 0 0 254.337 2.442 10 30 CEEERN CCN[C@H](C#N)COc1cc(C)c([N+](=O)[O-])cc1C ZINC000062998245 520162324 /nfs/dbraw/zinc/16/23/24/520162324.db2.gz ATQGOAXIIWMAHU-LLVKDONJSA-N 0 0 263.297 2.092 10 30 CEEERN CCCNc1ccccc1S(=O)(=O)N(C)CCC#N ZINC000050634715 520181529 /nfs/dbraw/zinc/18/15/29/520181529.db2.gz VNISKWIQWBWLFW-UHFFFAOYSA-N 0 0 281.381 2.043 10 30 CEEERN CCN[C@](C#N)(CSc1nnc(C)s1)C1CC1 ZINC000069092514 520225299 /nfs/dbraw/zinc/22/52/99/520225299.db2.gz WGWSWHLJATVSQG-LLVKDONJSA-N 0 0 268.411 2.221 10 30 CEEERN CCNc1cc(C(=O)N(C)C[C@H](C)C#N)cc(Cl)n1 ZINC000050775848 520256445 /nfs/dbraw/zinc/25/64/45/520256445.db2.gz OYIDPXZRMGJWQC-SECBINFHSA-N 0 0 280.759 2.398 10 30 CEEERN CCNc1ccc(C(=O)N(CCC#N)C(C)C)cn1 ZINC000050789045 520281404 /nfs/dbraw/zinc/28/14/04/520281404.db2.gz SPEDLFKFZKTHQE-UHFFFAOYSA-N 0 0 260.341 2.278 10 30 CEEERN CCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC#N)c1 ZINC000050722423 520325182 /nfs/dbraw/zinc/32/51/82/520325182.db2.gz ZKTZCECKHUPZKQ-UHFFFAOYSA-N 0 0 276.296 2.012 10 30 CEEERN CCNc1ncc(C(=O)N(C)CCC#N)cc1Cl ZINC000050722507 520361939 /nfs/dbraw/zinc/36/19/39/520361939.db2.gz NFYOFRRAMFMJCI-UHFFFAOYSA-N 0 0 266.732 2.152 10 30 CEEERN CCOC(=O)N(C)Cc1ccc(C#CCCO)cc1 ZINC000049589835 520919997 /nfs/dbraw/zinc/91/99/97/520919997.db2.gz KVCVYNKZRHJGEI-UHFFFAOYSA-N 0 0 261.321 2.009 10 30 CEEERN CCCC[C@@H](C)NC(=O)c1cncc(C#CCCO)c1 ZINC000050890983 521006411 /nfs/dbraw/zinc/00/64/11/521006411.db2.gz URMIRYKDCJSIBK-CYBMUJFWSA-N 0 0 274.364 2.124 10 30 CEEERN CCN(C[C@@H](C)C#N)C(=O)[C@H](C#N)c1ccccc1 ZINC000061615136 521186308 /nfs/dbraw/zinc/18/63/08/521186308.db2.gz GXRZWQJYMJCLAS-GXTWGEPZSA-N 0 0 255.321 2.302 10 30 CEEERN CCN(C[C@@H](C)C#N)C(=O)c1cc2ccccc2c(N)n1 ZINC000050710028 521188857 /nfs/dbraw/zinc/18/88/57/521188857.db2.gz HGIYJTSUSCWGSC-NSHDSACASA-N 0 0 282.347 2.439 10 30 CEEERN CCC(CC)C(=O)NCc1cccc(C#CCO)c1 ZINC000049588193 521497396 /nfs/dbraw/zinc/49/73/96/521497396.db2.gz CYIASAILCZLJSH-UHFFFAOYSA-N 0 0 259.349 2.083 10 30 CEEERN CCOc1nc(Cl)nc(NCc2ccc(C#N)cc2)n1 ZINC000061517325 521604601 /nfs/dbraw/zinc/60/46/01/521604601.db2.gz XXSLQOPXUWRDIL-UHFFFAOYSA-N 0 0 289.726 2.407 10 30 CEEERN CN(C)c1nc(Cl)nc(Nc2cccc(F)c2C#N)n1 ZINC000061537937 522325631 /nfs/dbraw/zinc/32/56/31/522325631.db2.gz LIFIZXCFDBAZAS-UHFFFAOYSA-N 0 0 292.705 2.345 10 30 CEEERN CN(C)c1nc(Cl)nc(Nc2ccccc2C#N)n1 ZINC000061534707 522325688 /nfs/dbraw/zinc/32/56/88/522325688.db2.gz KOYMTSKAYGKCQU-UHFFFAOYSA-N 0 0 274.715 2.206 10 30 CEEERN CN[C@@](C#N)(COc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000069088099 522404124 /nfs/dbraw/zinc/40/41/24/522404124.db2.gz GJYSPEACOXVEKC-ZDUSSCGKSA-N 0 0 279.271 2.004 10 30 CEEERN CNc1c(C#N)cnc2cc3c(cc21)OCCCO3 ZINC000050842079 522534677 /nfs/dbraw/zinc/53/46/77/522534677.db2.gz VIVUKIMXIUPRID-UHFFFAOYSA-N 0 0 255.277 2.309 10 30 CEEERN CNc1c(C#N)cnc2cc3c(cc21)OC(F)(F)O3 ZINC000050842068 522534809 /nfs/dbraw/zinc/53/48/09/522534809.db2.gz CNPOBAQTGHPSNG-UHFFFAOYSA-N 0 0 263.203 2.470 10 30 CEEERN CNc1cc(COc2ccc(C#N)cc2[N+](=O)[O-])ccn1 ZINC000052755743 522567700 /nfs/dbraw/zinc/56/77/00/522567700.db2.gz UKFYPKBULXWGQP-UHFFFAOYSA-N 0 0 284.275 2.482 10 30 CEEERN CN(Cc1ccc(C#CCCO)cc1)C(=O)C(C)(C)C ZINC000049589386 523202465 /nfs/dbraw/zinc/20/24/65/523202465.db2.gz XSFNXPHPAQMGIM-UHFFFAOYSA-N 0 0 273.376 2.425 10 30 CEEERN CN(Cc1ccc(C#CCCO)cc1)C(=O)CC(F)(F)F ZINC000049589411 523204223 /nfs/dbraw/zinc/20/42/23/523204223.db2.gz XTXGGMLNQQNSFG-UHFFFAOYSA-N 0 0 299.292 2.331 10 30 CEEERN CN(Cc1ccc(F)c(C#CCO)c1)CC(F)(F)F ZINC000049613455 523240309 /nfs/dbraw/zinc/24/03/09/523240309.db2.gz CSEAAOKFDKRMHP-UHFFFAOYSA-N 0 0 275.245 2.164 10 30 CEEERN CN(c1cccc(C#N)c1)c1ccc(N)cc1C(N)=O ZINC000061984457 523644664 /nfs/dbraw/zinc/64/46/64/523644664.db2.gz SLMVWOXMNDIVLA-UHFFFAOYSA-N 0 0 266.304 2.007 10 30 CEEERN COc1ccc(C)cc1C(=O)N1CCC(C#N)CC1 ZINC000061585380 523802104 /nfs/dbraw/zinc/80/21/04/523802104.db2.gz ILRIOMYEGLWMGN-UHFFFAOYSA-N 0 0 258.321 2.379 10 30 CEEERN CC[C@H](C)C(=O)N[C@@H](C)c1cccc(C#CCO)c1 ZINC000049588960 523834191 /nfs/dbraw/zinc/83/41/91/523834191.db2.gz QCAVGGBXEYCSIF-STQMWFEESA-N 0 0 259.349 2.254 10 30 CEEERN CO[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000070329162 523977223 /nfs/dbraw/zinc/97/72/23/523977223.db2.gz RUODUVMIONZWTJ-LSDHHAIUSA-N 0 0 288.347 2.471 10 30 CEEERN CNC(=O)[C@@H]1CCCCN1c1cccc(Cl)c1C#N ZINC000052908888 524081647 /nfs/dbraw/zinc/08/16/47/524081647.db2.gz ASGOCUMAKVYWFP-ZDUSSCGKSA-N 0 0 277.755 2.317 10 30 CEEERN O=C(N[C@@H]1CCCc2occc21)N1CC(O)(C2CC2)C1 ZINC000330260905 534762298 /nfs/dbraw/zinc/76/22/98/534762298.db2.gz TULPGYNMECQRLV-GFCCVEGCSA-N 0 0 276.336 2.028 10 30 CEEERN Cc1cc(C)n(Cc2ccc(F)c(C#CCO)c2)n1 ZINC000049619119 524540641 /nfs/dbraw/zinc/54/06/41/524540641.db2.gz JPZWGYYSGUGJFS-UHFFFAOYSA-N 0 0 258.296 2.031 10 30 CEEERN C[C@H](NC(=O)C1CCCC1)c1ccc(C#CCO)cc1 ZINC000049588489 524909872 /nfs/dbraw/zinc/90/98/72/524909872.db2.gz LECBLNUHKXAPFV-ZDUSSCGKSA-N 0 0 271.360 2.398 10 30 CEEERN C[C@@H](NC(=O)C1CC1)c1cccc(C#CCCO)c1 ZINC000049589648 525063605 /nfs/dbraw/zinc/06/36/05/525063605.db2.gz ZPXBUOZFCINAOQ-GFCCVEGCSA-N 0 0 257.333 2.008 10 30 CEEERN C[C@@H]1CO[C@@H](C)CN1c1ccc(/C(N)=N/O)c(Cl)c1 ZINC000061855796 525151577 /nfs/dbraw/zinc/15/15/77/525151577.db2.gz XARRBZDDYLTVFT-BDAKNGLRSA-N 0 0 283.759 2.048 10 30 CEEERN C[C@@H]1C[C@@H](C)CCN1C(=O)c1cc(C#CCO)ccc1F ZINC000051750945 525197366 /nfs/dbraw/zinc/19/73/66/525197366.db2.gz QVWMRYRTGOLRJA-QWHCGFSZSA-N 0 0 289.350 2.430 10 30 CEEERN CSCCC(=O)Nc1cc(C#CCO)ccc1Cl ZINC000061691521 525376954 /nfs/dbraw/zinc/37/69/54/525376954.db2.gz SKJMPUYNBXATPP-UHFFFAOYSA-N 0 0 283.780 2.375 10 30 CEEERN Cc1ccn(CCOc2ccc(CC#N)cc2)c(=O)c1 ZINC000061909259 525600839 /nfs/dbraw/zinc/60/08/39/525600839.db2.gz CNSPZLAJUBRVRJ-UHFFFAOYSA-N 0 0 268.316 2.302 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)c1cccnc1N ZINC000050705335 526005581 /nfs/dbraw/zinc/00/55/81/526005581.db2.gz CCHJVOYVJPLJHE-UHFFFAOYSA-N 0 0 252.277 2.096 10 30 CEEERN N#CCCN(Cc1cccnc1)c1ncnc(Cl)c1N ZINC000062362284 526457601 /nfs/dbraw/zinc/45/76/01/526457601.db2.gz JRXFEQDPMXFHKK-UHFFFAOYSA-N 0 0 288.742 2.027 10 30 CEEERN N#C[C@@H](C(=O)N(CCO)C1CCCC1)c1ccccc1 ZINC000061615158 526491254 /nfs/dbraw/zinc/49/12/54/526491254.db2.gz ZOSCOAOYKWVZSU-OAHLLOKOSA-N 0 0 272.348 2.057 10 30 CEEERN N#C[C@@](N)(CSc1ccccc1[N+](=O)[O-])C1CC1 ZINC000069089699 526503719 /nfs/dbraw/zinc/50/37/19/526503719.db2.gz LIAGKEOZDREYFT-GFCCVEGCSA-N 0 0 263.322 2.318 10 30 CEEERN N#C[C@H](C(=O)[C@@H]1CCCOC1)c1ccc2c(c1)OCCO2 ZINC000062236075 526507268 /nfs/dbraw/zinc/50/72/68/526507268.db2.gz RNMGKKNRQXTFLM-OLZOCXBDSA-N 0 0 287.315 2.061 10 30 CEEERN N#C[C@H](N)CCSc1ccc(C(F)(F)F)cn1 ZINC000062454062 526508745 /nfs/dbraw/zinc/50/87/45/526508745.db2.gz SSENOZGGARRKEQ-MRVPVSSYSA-N 0 0 261.272 2.433 10 30 CEEERN N#C[C@H](c1cc(F)c(F)c(F)c1)N1CCOCC1 ZINC000062720133 526511406 /nfs/dbraw/zinc/51/14/06/526511406.db2.gz QCJHOQOJFQBGMY-LLVKDONJSA-N 0 0 256.227 2.001 10 30 CEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000061888408 526513429 /nfs/dbraw/zinc/51/34/29/526513429.db2.gz GPCXPFYTPCGDFN-KCJUWKMLSA-N 0 0 277.255 2.156 10 30 CEEERN N#C[C@](N)(CN1CCCc2ccccc2C1)C1CC1 ZINC000069083123 526514802 /nfs/dbraw/zinc/51/48/02/526514802.db2.gz FYSSANLDVHYBOK-INIZCTEOSA-N 0 0 255.365 2.066 10 30 CEEERN N#Cc1cc(NC(=O)Cc2cccc(N)c2)ccc1F ZINC000052923697 526566997 /nfs/dbraw/zinc/56/69/97/526566997.db2.gz IVBJTWUWDGOPQG-UHFFFAOYSA-N 0 0 269.279 2.461 10 30 CEEERN N#Cc1cc(NC(=O)c2cc(N)cc(N)c2)ccc1F ZINC000051634718 526568687 /nfs/dbraw/zinc/56/86/87/526568687.db2.gz RMOYDCISGOUBBL-UHFFFAOYSA-N 0 0 270.267 2.114 10 30 CEEERN O=C(NCc1ccc(C#CCCO)cc1)c1ccsc1 ZINC000049589148 526652452 /nfs/dbraw/zinc/65/24/52/526652452.db2.gz GJCOKCAQAWNADR-UHFFFAOYSA-N 0 0 285.368 2.412 10 30 CEEERN N#Cc1ccc(NC(=O)c2ccnc(N)c2)cc1Cl ZINC000050700925 526658548 /nfs/dbraw/zinc/65/85/48/526658548.db2.gz RUKOUYSQWVGTPQ-UHFFFAOYSA-N 0 0 272.695 2.441 10 30 CEEERN N#Cc1ccc(OCC(=O)Nc2ccc(CO)cc2)cc1 ZINC000070331907 526672607 /nfs/dbraw/zinc/67/26/07/526672607.db2.gz MSEPHIFOPIPLGV-UHFFFAOYSA-N 0 0 282.299 2.068 10 30 CEEERN Cc1occc1C(=O)NCc1ccc(C#CCCO)cc1 ZINC000049589149 526810953 /nfs/dbraw/zinc/81/09/53/526810953.db2.gz NJVNRNLICLMPFC-UHFFFAOYSA-N 0 0 283.327 2.252 10 30 CEEERN O=C(COc1cccc(Cl)c1)N1CCC(=NO)CC1 ZINC000051018450 526975502 /nfs/dbraw/zinc/97/55/02/526975502.db2.gz FGKLJOINHSATFP-UHFFFAOYSA-N 0 0 282.727 2.171 10 30 CEEERN O=C(Nc1ccc(F)cc1C#CCCO)[C@@H]1CCCCO1 ZINC000050971243 527208200 /nfs/dbraw/zinc/20/82/00/527208200.db2.gz KRJFNOLLVVSLOX-HNNXBMFYSA-N 0 0 291.322 2.067 10 30 CEEERN CCOC(=O)Cc1csc(N=NCc2ccccn2)n1 ZINC000016844409 528914593 /nfs/dbraw/zinc/91/45/93/528914593.db2.gz BYMVBWDHXQJNMW-NVNXTCNLSA-N 0 0 290.348 2.090 10 30 CEEERN CC(C)N1C[C@H](NC(=O)C[C@H]2CCCCNC2=O)CC1=O ZINC000329471729 529097556 /nfs/dbraw/zinc/09/75/56/529097556.db2.gz ZTHFGMSHIGKERC-VXGBXAGGSA-N 0 0 295.383 2.099 10 30 CEEERN CCOc1ccccc1C(F)(F)C(=O)N[C@H](C)C#N ZINC000125546411 649938845 /nfs/dbraw/zinc/93/88/45/649938845.db2.gz KULKMRWJFBEKOJ-SECBINFHSA-N 0 0 268.263 2.205 10 30 CEEERN C[C@@H]1C[C@H](C2COS(=O)(=O)OC2)CC(C)(C)C1 ZINC000757193103 622966082 /nfs/dbraw/zinc/96/60/82/622966082.db2.gz ROHSLBZHKFTDNK-ZJUUUORDSA-N 0 0 262.371 2.357 10 30 CEEERN COC(=O)C1CCC(C(=O)[C@H](C#N)c2ccccn2)CC1 ZINC000181010035 627365361 /nfs/dbraw/zinc/36/53/61/627365361.db2.gz RJEPYTTUEVNHDA-WXRRBKDZSA-N 0 0 286.331 2.237 10 30 CEEERN Cc1cccc2c1OCC[C@H]2NC(=O)C1(O)CCOCC1 ZINC000330020076 628377706 /nfs/dbraw/zinc/37/77/06/628377706.db2.gz WBWXMLIQLVCHNI-CYBMUJFWSA-N 0 0 291.347 2.317 10 30 CEEERN C#CCOc1ccc(C(=O)O[C@H](C)[C@H]2CCOC2)cc1 ZINC000079178378 630868771 /nfs/dbraw/zinc/86/87/71/630868771.db2.gz BWWGGWYRVITHAK-OCCSQVGLSA-N 0 0 274.316 2.280 10 30 CEEERN C[C@H](OC(=O)c1cccc(CC#N)c1)[C@@H]1CCOC1 ZINC000079185778 630905210 /nfs/dbraw/zinc/90/52/10/630905210.db2.gz AGLSYYUSNNNPRD-SMDDNHRTSA-N 0 0 259.305 2.334 10 30 CEEERN C#CC[C@@H](OC(=O)Cn1ccc(=O)c2ccccc21)C1CC1 ZINC000079205692 631013380 /nfs/dbraw/zinc/01/33/80/631013380.db2.gz QOFLKXOLRRHLGH-QGZVFWFLSA-N 0 0 295.338 2.347 10 30 CEEERN CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccccn1 ZINC000148834354 635711826 /nfs/dbraw/zinc/71/18/26/635711826.db2.gz IGPVPUDTRNAGJV-NSHDSACASA-N 0 0 250.298 2.236 10 30 CEEERN CC1CC(C#N)(C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000125794543 650211112 /nfs/dbraw/zinc/21/11/12/650211112.db2.gz GSJJZBBZJKEORW-WBFHCKIUSA-N 0 0 256.305 2.176 10 30 CEEERN C#CCOC(=O)[C@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000058818734 639537009 /nfs/dbraw/zinc/53/70/09/639537009.db2.gz LYGIBMGTXGPXNH-TZMCWYRMSA-N 0 0 273.332 2.008 10 30 CEEERN C=CCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC ZINC000062062262 639733935 /nfs/dbraw/zinc/73/39/35/639733935.db2.gz HMFVKCYTXXCWRS-GHMZBOCLSA-N 0 0 270.373 2.228 10 30 CEEERN C#C[C@H](C)OC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](C)CC ZINC000174471833 639929891 /nfs/dbraw/zinc/92/98/91/639929891.db2.gz XBDIMYQDTACDJQ-IPYPFGDCSA-N 0 0 287.359 2.396 10 30 CEEERN C#CCCCNC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174577008 639937816 /nfs/dbraw/zinc/93/78/16/639937816.db2.gz AJJYDYQPUZQJIE-STQMWFEESA-N 0 0 294.395 2.209 10 30 CEEERN C=CCC[C@@H](C)OC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000089320246 640317598 /nfs/dbraw/zinc/31/75/98/640317598.db2.gz JBGKUKNEQORCBZ-GHMZBOCLSA-N 0 0 265.309 2.296 10 30 CEEERN CC(C)n1nnnc1CNc1ccccc1O[C@H](C)C#N ZINC000182586599 641681682 /nfs/dbraw/zinc/68/16/82/641681682.db2.gz QWFMUJDPGPIKNK-LLVKDONJSA-N 0 0 286.339 2.157 10 30 CEEERN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000126861477 650978820 /nfs/dbraw/zinc/97/88/20/650978820.db2.gz NGZNUVBRADTNSM-BXUZGUMPSA-N 0 0 288.347 2.108 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cc2ccccc2nn1 ZINC000888611810 649531057 /nfs/dbraw/zinc/53/10/57/649531057.db2.gz CKYNNGXHJIMVEE-NWDGAFQWSA-N 0 0 281.319 2.444 10 30 CEEERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2OCC#N)O1 ZINC000128926237 651678555 /nfs/dbraw/zinc/67/85/55/651678555.db2.gz HLXNULSSIFSCLE-BXKDBHETSA-N 0 0 278.283 2.234 10 30 CEEERN C#C[C@H](C)OC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000129168712 651858246 /nfs/dbraw/zinc/85/82/46/651858246.db2.gz XHCKRBGAQVQADR-GZMMTYOYSA-N 0 0 295.132 2.490 10 30 CEEERN N#Cc1ccc(NC(=O)c2cscn2)c([N+](=O)[O-])c1 ZINC000096601651 185108096 /nfs/dbraw/zinc/10/80/96/185108096.db2.gz KURNCPVNIJDJRB-UHFFFAOYSA-N 0 0 274.261 2.175 10 30 CEEERN C=CCN(CC)C(=O)c1cncc(Br)c1 ZINC000096759799 185111265 /nfs/dbraw/zinc/11/12/65/185111265.db2.gz VGHZBKSTLPMHEN-UHFFFAOYSA-N 0 0 269.142 2.492 10 30 CEEERN C=CCN(CC(=O)N(CC)c1ccccc1)C(C)=O ZINC000096775325 185111977 /nfs/dbraw/zinc/11/19/77/185111977.db2.gz DDFZRVPZPRLPEF-UHFFFAOYSA-N 0 0 260.337 2.074 10 30 CEEERN C=CC[C@@H](C)n1cc(N)cc(Br)c1=O ZINC000725249397 539194322 /nfs/dbraw/zinc/19/43/22/539194322.db2.gz LDMBBOLLTNDFAX-SSDOTTSWSA-N 0 0 257.131 2.330 10 30 CEEERN C[C@H](C#N)S(=O)(=O)c1ccccc1Br ZINC000043522869 362146769 /nfs/dbraw/zinc/14/67/69/362146769.db2.gz QZWAUYHIMKWXJZ-SSDOTTSWSA-N 0 0 274.139 2.135 10 30 CEEERN N/C(=N\O)c1ccccc1OCCCc1ccncc1 ZINC000034958560 343421389 /nfs/dbraw/zinc/42/13/89/343421389.db2.gz QRVZUDYOWOAEHY-UHFFFAOYSA-N 0 0 271.320 2.188 10 30 CEEERN Cc1cc(N2CCC([C@@H](C)O)CC2)c(C#N)c(C)n1 ZINC000227593639 136387965 /nfs/dbraw/zinc/38/79/65/136387965.db2.gz JQZMUFCOLXGSMO-GFCCVEGCSA-N 0 0 259.353 2.167 10 30 CEEERN CC(C)(C)OC(=O)Nc1ccccc1/C(N)=N/O ZINC000054138805 343585186 /nfs/dbraw/zinc/58/51/86/343585186.db2.gz CUTLTSAGAGQPTQ-UHFFFAOYSA-N 0 0 251.286 2.128 10 30 CEEERN C=C(C)C(=O)O[C@@H](CC(C)C)C(F)(F)C(=O)OC ZINC000114792000 344280819 /nfs/dbraw/zinc/28/08/19/344280819.db2.gz YRUZXKHJBFINDY-VIFPVBQESA-N 0 0 264.268 2.329 10 30 CEEERN C#Cc1cc(C#N)ccc1OCC(=O)OC(C)(C)C ZINC000115989138 344285135 /nfs/dbraw/zinc/28/51/35/344285135.db2.gz TVYUKZWIJHSDTF-UHFFFAOYSA-N 0 0 257.289 2.260 10 30 CEEERN C=C(Br)CNC(=O)[C@@]1(C)CCCS1 ZINC000131599707 344358850 /nfs/dbraw/zinc/35/88/50/344358850.db2.gz ZSZKEDUYDAMOAA-SECBINFHSA-N 0 0 264.188 2.297 10 30 CEEERN COc1ccc(C(=O)/C(=N/N)c2ccc(OC)cc2)cc1 ZINC000138402211 344389927 /nfs/dbraw/zinc/38/99/27/344389927.db2.gz SCYLDNBGVRODKE-OBGWFSINSA-N 0 0 284.315 2.250 10 30 CEEERN OC[C@@H](CCOc1ccc(F)cc1)CC[C@@H]1CO1 ZINC000145425672 344409119 /nfs/dbraw/zinc/40/91/19/344409119.db2.gz XKXYPXLHZKCADI-BXUZGUMPSA-N 0 0 254.301 2.382 10 30 CEEERN O=CC1CCN(c2ccncc2Br)CC1 ZINC000159999503 344456799 /nfs/dbraw/zinc/45/67/99/344456799.db2.gz FXUPQPIMWUYZEJ-UHFFFAOYSA-N 0 0 269.142 2.259 10 30 CEEERN COc1ccc(C(C)C)cc1COS(C)(=O)=O ZINC000218328701 344536290 /nfs/dbraw/zinc/53/62/90/344536290.db2.gz OEPUORHDKRZRFS-UHFFFAOYSA-N 0 0 258.339 2.295 10 30 CEEERN C#Cc1ccc2ccccc2c1COS(C)(=O)=O ZINC000218398208 344536291 /nfs/dbraw/zinc/53/62/91/344536291.db2.gz LNTKQKNYHHLEMK-UHFFFAOYSA-N 0 0 260.314 2.297 10 30 CEEERN C#Cc1nn(C(=O)OC(C)(C)C)c2ccc(CO)cc12 ZINC000222915179 344541297 /nfs/dbraw/zinc/54/12/97/344541297.db2.gz XRTHCQJGYUTSOA-UHFFFAOYSA-N 0 0 272.304 2.293 10 30 CEEERN C#CCCNc1nc(Cl)ncc1Br ZINC000229302468 344565428 /nfs/dbraw/zinc/56/54/28/344565428.db2.gz JJLRMNJLTQCTHP-UHFFFAOYSA-N 0 0 260.522 2.328 10 30 CEEERN N/C(CC(=O)N(Cc1ccccc1)Cc1ccccc1)=N/O ZINC000307353809 344721929 /nfs/dbraw/zinc/72/19/29/344721929.db2.gz DAWOBFXWSZTDBS-UHFFFAOYSA-N 0 0 297.358 2.352 10 30 CEEERN C=C1CCCN(c2nnc(Br)s2)C1 ZINC000306274422 344712949 /nfs/dbraw/zinc/71/29/49/344712949.db2.gz FKKIGVYOSBYAIO-UHFFFAOYSA-N 0 0 260.160 2.457 10 30 CEEERN C=C(Br)C[N@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000306679838 344716313 /nfs/dbraw/zinc/71/63/13/344716313.db2.gz IZSIEOFJRAPRPZ-IUCAKERBSA-N 0 0 262.147 2.080 10 30 CEEERN Cc1ccncc1[NH+]=C([O-])N(C)C[C@@H]1CCc2nccn2C1 ZINC000328642859 344758223 /nfs/dbraw/zinc/75/82/23/344758223.db2.gz YNWZPXKLGTWMGI-ZDUSSCGKSA-N 0 0 299.378 2.326 10 30 CEEERN CN1CCN(C(=O)NC(C2CCC2)C2CCC2)C[C@@H]1C#N ZINC000329405704 530065951 /nfs/dbraw/zinc/06/59/51/530065951.db2.gz ASNJNAXHCAEBKB-AWEZNQCLSA-N 0 0 290.411 2.009 10 30 CEEERN O=C(NC[C@@H]1CCn2ccnc2C1)[C@@H]1C[C@H]1C1CC1 ZINC000328628798 344756526 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/nfs/dbraw/zinc/16/26/11/174162611.db2.gz SZRCTXUVXDVBNM-UHFFFAOYSA-N 0 0 257.297 2.193 10 30 CEEERN N#C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000040215188 174204409 /nfs/dbraw/zinc/20/44/09/174204409.db2.gz GXVLVGNEMWYQBM-ZDUSSCGKSA-N 0 0 280.283 2.410 10 30 CEEERN CCOC(=O)[C@]1(CCCc2ccc(OC)cc2)CO1 ZINC000040631909 174358548 /nfs/dbraw/zinc/35/85/48/174358548.db2.gz OKSXSYMMNNMZQZ-HNNXBMFYSA-N 0 0 264.321 2.350 10 30 CEEERN C[C@@H]1CCN(C(=O)c2cc(F)ccc2C#CCCO)C1 ZINC000040726457 174387285 /nfs/dbraw/zinc/38/72/85/174387285.db2.gz RTRGEROWZIQVAB-GFCCVEGCSA-N 0 0 275.323 2.042 10 30 CEEERN CCN(C[C@H](C)C#N)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000042447363 174741622 /nfs/dbraw/zinc/74/16/22/174741622.db2.gz XRJQJZASCQQWCT-SNVBAGLBSA-N 0 0 261.281 2.393 10 30 CEEERN C[C@H](C(=O)N1CCCCCC1)N(CCC#N)C1CC1 ZINC000042549123 174788910 /nfs/dbraw/zinc/78/89/10/174788910.db2.gz JDXLIHXFXQQQDZ-CYBMUJFWSA-N 0 0 263.385 2.156 10 30 CEEERN Cc1cc(N)ccc1C(=O)NCc1ccc(C#N)cc1 ZINC000044748522 175243997 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175326222 /nfs/dbraw/zinc/32/62/22/175326222.db2.gz FLLLEKQROYZVLI-MRXNPFEDSA-N 0 0 266.348 2.363 10 30 CEEERN CN[C@](C)(C#N)CCn1ccnc1-c1ccccc1 ZINC000045207075 175328247 /nfs/dbraw/zinc/32/82/47/175328247.db2.gz GAXWUESBYPNTPN-HNNXBMFYSA-N 0 0 254.337 2.442 10 30 CEEERN CN[C@@](C#N)(Cn1nc(C)c(C)c1C)c1ccccc1 ZINC000045207098 175328281 /nfs/dbraw/zinc/32/82/81/175328281.db2.gz NXIQRLBLCQGQQQ-INIZCTEOSA-N 0 0 268.364 2.447 10 30 CEEERN CCCN[C@](C)(C#N)CCOC[C@H]1CCCCO1 ZINC000045208412 175328664 /nfs/dbraw/zinc/32/86/64/175328664.db2.gz HGQHTRIFUJSVBY-KGLIPLIRSA-N 0 0 254.374 2.244 10 30 CEEERN C[C@@](N)(C#N)CCOc1cccc2c1OC(C)(C)C2 ZINC000045210680 175328849 /nfs/dbraw/zinc/32/88/49/175328849.db2.gz GRTKLEJMOPZILL-HNNXBMFYSA-N 0 0 260.337 2.410 10 30 CEEERN N#C[C@@](N)(COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000045214189 175329117 /nfs/dbraw/zinc/32/91/17/175329117.db2.gz QVMHUQVUKSVMIQ-OAHLLOKOSA-N 0 0 283.287 2.351 10 30 CEEERN CC(C)N[C@](C)(C#N)COc1ccccc1[N+](=O)[O-] ZINC000045214243 175329382 /nfs/dbraw/zinc/32/93/82/175329382.db2.gz LOCLNJGARALKMQ-CYBMUJFWSA-N 0 0 263.297 2.254 10 30 CEEERN CN(C)c1cccc(OC[C@@](C)(C#N)NC2CC2)c1 ZINC000045215147 175329699 /nfs/dbraw/zinc/32/96/99/175329699.db2.gz JGVQHZGLFBVIHR-OAHLLOKOSA-N 0 0 259.353 2.166 10 30 CEEERN CCCc1cc(=O)[nH]c(SCCCC[C@](C)(N)C#N)n1 ZINC000045364256 175362569 /nfs/dbraw/zinc/36/25/69/175362569.db2.gz QMPJVWOYPWMBPZ-AWEZNQCLSA-N 0 0 294.424 2.226 10 30 CEEERN C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1C#CCCO ZINC000071210919 176082894 /nfs/dbraw/zinc/08/28/94/176082894.db2.gz ATZAYQUPLNFYJS-CZUORRHYSA-N 0 0 271.360 2.339 10 30 CEEERN C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000071210955 176083458 /nfs/dbraw/zinc/08/34/58/176083458.db2.gz ZCCNKJWCIDRNML-IAQYHMDHSA-N 0 0 275.323 2.088 10 30 CEEERN COCCN(CCC#N)c1ccc([C@H](C)O)cc1[N+](=O)[O-] ZINC000071226678 176090328 /nfs/dbraw/zinc/09/03/28/176090328.db2.gz AGEXJKLACQLLNX-NSHDSACASA-N 0 0 293.323 2.015 10 30 CEEERN COCCN(CCC#N)C(=O)c1cc(C)ccc1OC ZINC000071229802 176091668 /nfs/dbraw/zinc/09/16/68/176091668.db2.gz KFDRSDKOOVVYKD-UHFFFAOYSA-N 0 0 276.336 2.006 10 30 CEEERN COCCN(CCC#N)c1cccc(C(F)(F)F)n1 ZINC000071231065 176092020 /nfs/dbraw/zinc/09/20/20/176092020.db2.gz AQYWQZWWESQCFT-UHFFFAOYSA-N 0 0 273.258 2.467 10 30 CEEERN N/C(=N/O)c1cc(F)ccc1COC1CCCC1 ZINC000071267230 176100872 /nfs/dbraw/zinc/10/08/72/176100872.db2.gz IVWGAPVASNZSMN-UHFFFAOYSA-N 0 0 252.289 2.379 10 30 CEEERN O=C(NCc1cc(C#CCO)cs1)c1cccs1 ZINC000071321940 176122411 /nfs/dbraw/zinc/12/24/11/176122411.db2.gz CFJAZQFLWPCAHO-UHFFFAOYSA-N 0 0 277.370 2.083 10 30 CEEERN CC(C)OC(=O)NCc1cc(C#CCCO)cs1 ZINC000071323015 176123439 /nfs/dbraw/zinc/12/34/39/176123439.db2.gz BENKBEYPESAJJV-UHFFFAOYSA-N 0 0 267.350 2.117 10 30 CEEERN C#CCNC(=O)[C@H](C)Oc1ccc(C=O)cc1C(F)(F)F ZINC000071399032 176151686 /nfs/dbraw/zinc/15/16/86/176151686.db2.gz ZXUVERZOAXFRBA-VIFPVBQESA-N 0 0 299.248 2.035 10 30 CEEERN COc1ccc2c(c1)[C@@H](C#N)N(CCCn1ccnc1)C2=O ZINC000071678537 176243838 /nfs/dbraw/zinc/24/38/38/176243838.db2.gz HYWYTRPKHOSOMB-OAHLLOKOSA-N 0 0 296.330 2.002 10 30 CEEERN Cc1cc(C)n(C2CN(CCOc3cccc(C#N)c3)C2)n1 ZINC000071880767 176287613 /nfs/dbraw/zinc/28/76/13/176287613.db2.gz HVBNEJMMHBIKEG-UHFFFAOYSA-N 0 0 296.374 2.307 10 30 CEEERN COC(=O)[C@H]1C(=O)C=C(Cl)C[C@@H]1c1ccco1 ZINC000072416002 176399595 /nfs/dbraw/zinc/39/95/95/176399595.db2.gz QXYVMQPAOXPIBL-LDYMZIIASA-N 0 0 254.669 2.248 10 30 CEEERN C=CC[C@H]1CCC[N@@H+](Cc2oncc2C(=O)[O-])C1 ZINC000656760232 415845215 /nfs/dbraw/zinc/84/52/15/415845215.db2.gz SAGCVFJMBKWNPL-JTQLQIEISA-N 0 0 250.298 2.161 10 30 CEEERN COC(=O)c1cccc2nc(Nc3ccccc3C#N)nn21 ZINC000074375193 176535525 /nfs/dbraw/zinc/53/55/25/176535525.db2.gz BIAKWPCRHRCOLI-UHFFFAOYSA-N 0 0 293.286 2.131 10 30 CEEERN C=CCNS(=O)(=O)c1ccc(OC(C)(C)C)cc1 ZINC000074934873 176637261 /nfs/dbraw/zinc/63/72/61/176637261.db2.gz AZRFPORVHFLKKV-UHFFFAOYSA-N 0 0 269.366 2.328 10 30 CEEERN C[C@H]1COC[C@H](C)N1C(=O)c1cccc(CC#N)c1 ZINC000076358773 177000567 /nfs/dbraw/zinc/00/05/67/177000567.db2.gz FRHSTRVQZVUUSH-RYUDHWBXSA-N 0 0 258.321 2.002 10 30 CEEERN N#C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1F ZINC000079807084 177562631 /nfs/dbraw/zinc/56/26/31/177562631.db2.gz DQDBTVLMZZJSOH-VIFPVBQESA-N 0 0 251.236 2.485 10 30 CEEERN N#C[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc21 ZINC000079810484 177563581 /nfs/dbraw/zinc/56/35/81/177563581.db2.gz MLXLCERMWUHFDA-YPMHNXCESA-N 0 0 256.305 2.067 10 30 CEEERN Cc1ccn([C@H](C)C(=O)Nc2cccc(C#N)c2)n1 ZINC000079997458 177592456 /nfs/dbraw/zinc/59/24/56/177592456.db2.gz GFRPDKRNFCOVDE-LLVKDONJSA-N 0 0 254.293 2.263 10 30 CEEERN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)cc1C#CCO ZINC000080159203 177616181 /nfs/dbraw/zinc/61/61/81/177616181.db2.gz SWZXHKYJTIBDDN-NORZTCDRSA-N 0 0 287.334 2.088 10 30 CEEERN C[C@H](C[C@H]1CCCO1)NC(=O)c1cnc2c(c1)ncn2C ZINC000329246624 227380862 /nfs/dbraw/zinc/38/08/62/227380862.db2.gz AUFCOKOKNNWQLM-ZYHUDNBSSA-N 0 0 288.351 2.231 10 30 CEEERN C[C@@H]1CCN(C(=O)NCC(C)(C)C#N)CC1(F)F ZINC000334747891 225271067 /nfs/dbraw/zinc/27/10/67/225271067.db2.gz CVELZCVECHPVBD-SECBINFHSA-N 0 0 259.300 2.223 10 30 CEEERN C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C#N)(N(C)C)CC1 ZINC000336427265 227003854 /nfs/dbraw/zinc/00/38/54/227003854.db2.gz UIXIIWUPDIOLPV-KBPBESRZSA-N 0 0 292.427 2.194 10 30 CEEERN CNc1c(C(=O)N(C)[C@@H](C)CC#N)cccc1[N+](=O)[O-] ZINC000161481253 260977913 /nfs/dbraw/zinc/97/79/13/260977913.db2.gz CPSUYLXARWSWID-VIFPVBQESA-N 0 0 276.296 2.011 10 30 CEEERN CC(C)[C@H](O)CC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000183102893 261962972 /nfs/dbraw/zinc/96/29/72/261962972.db2.gz JSQQORQHSABUPC-DGCLKSJQSA-N 0 0 276.336 2.323 10 30 CEEERN Cc1noc(CCNC(=O)C[C@H]2CCCCC(=O)N2)n1 ZINC000328671067 263836630 /nfs/dbraw/zinc/83/66/30/263836630.db2.gz NCULGDQSVGTLSD-SNVBAGLBSA-N 0 0 280.328 2.166 10 30 CEEERN N#Cc1ccc(NCC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000328895268 263890283 /nfs/dbraw/zinc/89/02/83/263890283.db2.gz VEEJCZHPSZCVTG-GDBMZVCRSA-N 0 0 285.347 2.494 10 30 CEEERN C#CCNC(=O)c1ccc(N2CC[C@H]3CCCC[C@H]32)nc1 ZINC000280912649 264451829 /nfs/dbraw/zinc/45/18/29/264451829.db2.gz AKYKJAYCWVEIPA-UKRRQHHQSA-N 0 0 283.375 2.214 10 30 CEEERN C[C@H]1CC[C@@H](O)CN1c1nc(C(F)(F)F)ccc1C#N ZINC000399254018 267222588 /nfs/dbraw/zinc/22/25/88/267222588.db2.gz LEVWDGRVDXOKQN-WCBMZHEXSA-N 0 0 285.269 2.322 10 30 CEEERN CC(=O)c1cc(I)cc(C#N)c1 ZINC000095764523 277106328 /nfs/dbraw/zinc/10/63/28/277106328.db2.gz RLSBDJHSGCSDQP-UHFFFAOYSA-N 0 0 271.057 2.365 10 30 CEEERN C[C@@H]1C[C@@H](C(=O)n2ncc(C#N)c2N)CC(C)(C)C1 ZINC000183418902 277962738 /nfs/dbraw/zinc/96/27/38/277962738.db2.gz RKSWSPZRKGUZOI-NXEZZACHSA-N 0 0 260.341 2.440 10 30 CEEERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@]12CCCO2 ZINC000333446394 280049591 /nfs/dbraw/zinc/04/95/91/280049591.db2.gz XOKVFXIJRGFSOT-FQLMCAECSA-N 0 0 291.395 2.278 10 30 CEEERN N#Cc1cc(OC2CC2)c(I)cn1 ZINC000095736469 294887864 /nfs/dbraw/zinc/88/78/64/294887864.db2.gz LMCGTGUOYPEKPN-UHFFFAOYSA-N 0 0 286.072 2.099 10 30 CEEERN COC(=O)CCN(C)c1ccc(C#N)cc1Cl ZINC000062791625 523062654 /nfs/dbraw/zinc/06/26/54/523062654.db2.gz VWWPWGYYEXZLQA-UHFFFAOYSA-N 0 0 252.701 2.211 10 30 CEEERN CC(C)(C)OC(=O)[C@H](C#N)c1ccnc(Cl)n1 ZINC000526059865 327885478 /nfs/dbraw/zinc/88/54/78/327885478.db2.gz ZFNJRERJDHKRKZ-SSDOTTSWSA-N 0 0 253.689 2.079 10 30 CEEERN CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H](C)C#N)C2=O)cc1 ZINC000162006724 327918246 /nfs/dbraw/zinc/91/82/46/327918246.db2.gz PANVUJMHKCKENR-DOMZBBRYSA-N 0 0 299.374 2.191 10 30 CEEERN Cc1csc([C@@H]2CCCN(C(=O)CSCC#N)C2)n1 ZINC000173419461 329146909 /nfs/dbraw/zinc/14/69/09/329146909.db2.gz ORDFDQOAQDKUIG-LLVKDONJSA-N 0 0 295.433 2.414 10 30 CEEERN C=C[C@](C)(CCOC)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000188087958 329364295 /nfs/dbraw/zinc/36/42/95/329364295.db2.gz YQIXJGZGAHTOJG-MRXNPFEDSA-N 0 0 291.395 2.345 10 30 CEEERN C=CCC(CC=C)C(=O)N[C@@H]1CCc2nc(CC)nn2C1 ZINC000133796471 329655424 /nfs/dbraw/zinc/65/54/24/329655424.db2.gz HXEMDEHCYMNSMQ-CYBMUJFWSA-N 0 0 288.395 2.040 10 30 CEEERN N#CCC(=O)[C@@H]1CCCN(c2cc(F)ccc2F)C1=O ZINC000536949800 330382127 /nfs/dbraw/zinc/38/21/27/330382127.db2.gz CEUHYBVIQQIEJC-JTQLQIEISA-N 0 0 278.258 2.191 10 30 CEEERN N#Cc1cccc([C@H](C[NH3+])C2(C(=O)[O-])CCCC2)c1 ZINC000536953395 330382761 /nfs/dbraw/zinc/38/27/61/330382761.db2.gz JHVOSXRMSJSGOR-ZDUSSCGKSA-N 0 0 258.321 2.246 10 30 CEEERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000164812994 331305288 /nfs/dbraw/zinc/30/52/88/331305288.db2.gz HZFNEBUROSDOTK-CABZTGNLSA-N 0 0 289.291 2.025 10 30 CEEERN C=CCCOc1nc(Cl)nc(N2CCCCC2)n1 ZINC000061520408 518711443 /nfs/dbraw/zinc/71/14/43/518711443.db2.gz CTZJEBAUOCYQFH-UHFFFAOYSA-N 0 0 268.748 2.470 10 30 CEEERN CCCN[C@](C#N)(CN(C)CC1CCOCC1)C1CC1 ZINC000069083935 520100849 /nfs/dbraw/zinc/10/08/49/520100849.db2.gz OLHDVRIPIGYXJX-MRXNPFEDSA-N 0 0 279.428 2.017 10 30 CEEERN CCN[C@](C#N)(CO[C@H](C)COC)c1ccccc1 ZINC000070208720 520223480 /nfs/dbraw/zinc/22/34/80/520223480.db2.gz XKFATWARGNRUNL-UKRRQHHQSA-N 0 0 262.353 2.066 10 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ZINC000061860845 520077243 /nfs/dbraw/zinc/07/72/43/520077243.db2.gz VSBKHLIEUNENLM-UHFFFAOYSA-N 0 0 280.327 2.092 10 30 CEEERN CCCN[C@](C#N)(CN(C)CCCOC)c1ccccc1 ZINC000062034577 520099627 /nfs/dbraw/zinc/09/96/27/520099627.db2.gz BTIYSSFNOPFETQ-QGZVFWFLSA-N 0 0 289.423 2.373 10 30 CEEERN CCN[C@@](C)(C#N)Cn1cc(-c2ccccc2)cn1 ZINC000054961812 520129913 /nfs/dbraw/zinc/12/99/13/520129913.db2.gz GFTCAGWRTGAOCC-HNNXBMFYSA-N 0 0 254.337 2.442 10 30 CEEERN CCN[C@H](C#N)CCN1CCN(c2cccc(C)c2)CC1 ZINC000062367871 520161205 /nfs/dbraw/zinc/16/12/05/520161205.db2.gz ZTKATEJFCZBGJY-INIZCTEOSA-N 0 0 286.423 2.009 10 30 CEEERN CCN[C@H](C#N)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000062448611 520161879 /nfs/dbraw/zinc/16/18/79/520161879.db2.gz ADFMHJDNUJNRCS-NSHDSACASA-N 0 0 263.297 2.174 10 30 CEEERN CCNc1ccc(C(=O)N(CC)C[C@@H](C)C#N)cn1 ZINC000050788506 520281235 /nfs/dbraw/zinc/28/12/35/520281235.db2.gz QQTDIRXKQPVDNN-NSHDSACASA-N 0 0 260.341 2.135 10 30 CEEERN CCNc1cccc(C(=O)N(CCC#N)C(C)C)n1 ZINC000051072194 520331927 /nfs/dbraw/zinc/33/19/27/520331927.db2.gz DQYVAXCVRWKMSD-UHFFFAOYSA-N 0 0 260.341 2.278 10 30 CEEERN CCN(CC)C(=O)[C@H](C)Nc1ccc(F)c(C#N)c1 ZINC000051636761 520534611 /nfs/dbraw/zinc/53/46/11/520534611.db2.gz SNRBOSPPLMRTIV-JTQLQIEISA-N 0 0 263.316 2.366 10 30 CEEERN CCN(CC1CC1)C[C@](C#N)(NC)c1ccccc1 ZINC000069239372 520957278 /nfs/dbraw/zinc/95/72/78/520957278.db2.gz MBALEXQWFRIPKJ-INIZCTEOSA-N 0 0 257.381 2.357 10 30 CEEERN CCCn1ccnc(N(CCC#N)CC(C)C)c1=O ZINC000061760954 521659337 /nfs/dbraw/zinc/65/93/37/521659337.db2.gz HSLIMXMJTLUWHY-UHFFFAOYSA-N 0 0 262.357 2.029 10 30 CEEERN CCS(=O)(=O)c1ccccc1N1CCCC[C@H]1C=O ZINC000054268270 521693296 /nfs/dbraw/zinc/69/32/96/521693296.db2.gz OQXKICVROSUZLH-LBPRGKRZSA-N 0 0 281.377 2.038 10 30 CEEERN CNC(=O)c1ccc(N)cc1Nc1ccc(F)c(C#N)c1 ZINC000070240050 521833021 /nfs/dbraw/zinc/83/30/21/521833021.db2.gz MMIDCVJXAHKOPH-UHFFFAOYSA-N 0 0 284.294 2.383 10 30 CEEERN CNC(=O)c1ccn(-c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000070327986 521920355 /nfs/dbraw/zinc/92/03/55/521920355.db2.gz FYWQWRCEYSIUTQ-UHFFFAOYSA-N 0 0 294.236 2.122 10 30 CEEERN CN(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061888376 522154273 /nfs/dbraw/zinc/15/42/73/522154273.db2.gz DSGZNKDEPNSJKJ-OCCSQVGLSA-N 0 0 257.337 2.175 10 30 CEEERN CN(C)c1nc(Cl)nc(N(C)c2ccc(C#N)cc2)n1 ZINC000061984366 522323471 /nfs/dbraw/zinc/32/34/71/522323471.db2.gz PBJCIQFOVRZRRG-UHFFFAOYSA-N 0 0 288.742 2.231 10 30 CEEERN CC[C@H](NC(=O)COc1ccc(C#N)cc1)C(C)C ZINC000048976862 522390101 /nfs/dbraw/zinc/39/01/01/522390101.db2.gz YYIBSOABLAGFIT-AWEZNQCLSA-N 0 0 260.337 2.488 10 30 CEEERN CN[C@@](C#N)(Cn1ccnc1-c1ccccc1)C1CC1 ZINC000069084385 522406848 /nfs/dbraw/zinc/40/68/48/522406848.db2.gz GTAFNELFPIHDBQ-INIZCTEOSA-N 0 0 266.348 2.442 10 30 CEEERN CN(CC(=O)N1CCCC1)c1ccc(C#N)cc1Cl ZINC000062793733 522431380 /nfs/dbraw/zinc/43/13/80/522431380.db2.gz OYFNQNJDAPDNRM-UHFFFAOYSA-N 0 0 277.755 2.270 10 30 CEEERN CC[C@@H](CC#N)NC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000054416663 522463489 /nfs/dbraw/zinc/46/34/89/522463489.db2.gz MFABOPRNJPRAHN-VIFPVBQESA-N 0 0 265.244 2.156 10 30 CEEERN CN(Cc1ccccn1)Cc1ccc(C#CCO)cc1F ZINC000049618625 523397326 /nfs/dbraw/zinc/39/73/26/523397326.db2.gz OIGPSDLRGBIGDX-UHFFFAOYSA-N 0 0 284.334 2.197 10 30 CEEERN CN(Cc1ccoc1)Cc1ccccc1C#CCO ZINC000049614320 523475926 /nfs/dbraw/zinc/47/59/26/523475926.db2.gz GYCTTWYFXSINNA-UHFFFAOYSA-N 0 0 255.317 2.255 10 30 CEEERN COc1ccc(C#CCCO)cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000049589720 523514409 /nfs/dbraw/zinc/51/44/09/523514409.db2.gz LJECFTQHUPUJKV-WCQYABFASA-N 0 0 273.332 2.024 10 30 CEEERN CC[C@H](C)CNC(=O)c1ccc(C#CCCO)s1 ZINC000054490984 523883959 /nfs/dbraw/zinc/88/39/59/523883959.db2.gz CZTVIQBLDZRJLJ-NSHDSACASA-N 0 0 265.378 2.258 10 30 CEEERN CC[C@H](C)COc1ccc(/C(N)=N/O)cc1[N+](=O)[O-] ZINC000050424919 523888470 /nfs/dbraw/zinc/88/84/70/523888470.db2.gz GYASCGSBJHNWKC-QMMMGPOBSA-N 0 0 267.285 2.114 10 30 CEEERN COC(=O)[C@H](CC(C)C)N[C@H]1CCCC[C@@H]1C#N ZINC000054827553 523895692 /nfs/dbraw/zinc/89/56/92/523895692.db2.gz YVGJDSNSGQBXFG-AGIUHOORSA-N 0 0 252.358 2.246 10 30 CEEERN COC(=O)[C@H](N[C@H]1CCCCC[C@@H]1C#N)C(C)C ZINC000054825028 523932008 /nfs/dbraw/zinc/93/20/08/523932008.db2.gz ILFRRABGIINNKD-FRRDWIJNSA-N 0 0 252.358 2.246 10 30 CEEERN CNC(=O)C1CCN([C@H](CC#N)c2ccccc2)CC1 ZINC000055020402 524049848 /nfs/dbraw/zinc/04/98/48/524049848.db2.gz WIPLITDQPUAHFK-OAHLLOKOSA-N 0 0 271.364 2.099 10 30 CEEERN Cc1cc(C)c(C#N)c(Sc2n[nH]c(=O)n2C(C)C)n1 ZINC000061595349 524218639 /nfs/dbraw/zinc/21/86/39/524218639.db2.gz WDEXEXLIHSAUEO-UHFFFAOYSA-N 0 0 289.364 2.187 10 30 CEEERN Cc1cc(C)nc(Sc2ncc(N)cc2C#N)n1 ZINC000051606494 524605033 /nfs/dbraw/zinc/60/50/33/524605033.db2.gz QQAJOXWTBDFRHP-UHFFFAOYSA-N 0 0 257.322 2.094 10 30 CEEERN CSC[C@@H](C)CNc1nnc(C)c(C)c1C#N ZINC000069449424 525626627 /nfs/dbraw/zinc/62/66/27/525626627.db2.gz DIEYAOVQJLJLCF-QMMMGPOBSA-N 0 0 250.371 2.376 10 30 CEEERN C[C@H](C#N)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000054157626 525922659 /nfs/dbraw/zinc/92/26/59/525922659.db2.gz IAOCKDYHBSAVMM-ZCFIWIBFSA-N 0 0 258.108 2.278 10 30 CEEERN C[C@H](C#N)Oc1ccc(CO)cc1Br ZINC000062703212 525925181 /nfs/dbraw/zinc/92/51/81/525925181.db2.gz MMINGUIYDBYCMI-SSDOTTSWSA-N 0 0 256.099 2.232 10 30 CEEERN Cc1ccc(C#N)cc1NC(=O)c1csc(N)n1 ZINC000055189210 526005722 /nfs/dbraw/zinc/00/57/22/526005722.db2.gz XNHWYKCDWKBCRU-UHFFFAOYSA-N 0 0 258.306 2.158 10 30 CEEERN Cc1ccc(C#N)cc1N[C@H](C)C(=O)NCC(C)C ZINC000050430304 526008600 /nfs/dbraw/zinc/00/86/00/526008600.db2.gz UBDOZZSBFCYJFH-GFCCVEGCSA-N 0 0 259.353 2.439 10 30 CEEERN Cc1ccc(C(=O)NCc2ccc(C#CCCO)cc2)o1 ZINC000049589114 526185446 /nfs/dbraw/zinc/18/54/46/526185446.db2.gz VSKIDTDIESXDKE-UHFFFAOYSA-N 0 0 283.327 2.252 10 30 CEEERN N#C[C@@H](NC[C@H]1CCCO1)c1cc(F)c(F)c(F)c1 ZINC000062712224 526496913 /nfs/dbraw/zinc/49/69/13/526496913.db2.gz LRMFBFSRKSHRON-BXKDBHETSA-N 0 0 270.254 2.437 10 30 CEEERN N#C[C@@](Cn1ccc(C(F)(F)F)n1)(NC1CC1)C1CC1 ZINC000069084545 526501861 /nfs/dbraw/zinc/50/18/61/526501861.db2.gz KXTSPMJSBSKQOP-LBPRGKRZSA-N 0 0 284.285 2.326 10 30 CEEERN N#Cc1cc(N[C@@H]2CCCS(=O)(=O)C2)ccc1Cl ZINC000069136004 526573979 /nfs/dbraw/zinc/57/39/79/526573979.db2.gz PZEOIMCVYKELAD-LLVKDONJSA-N 0 0 284.768 2.201 10 30 CEEERN O=C(NCc1ccc(C#CCCO)cc1)C1CCCC1 ZINC000049589134 526653065 /nfs/dbraw/zinc/65/30/65/526653065.db2.gz UISUGWZVZXSPCB-UHFFFAOYSA-N 0 0 271.360 2.227 10 30 CEEERN N#Cc1ccc(NC2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000062790924 526660442 /nfs/dbraw/zinc/66/04/42/526660442.db2.gz KTJZSONUMVSFTA-UHFFFAOYSA-N 0 0 284.768 2.201 10 30 CEEERN C=C1CCN(C(=O)c2cc(C)nc3c2cnn3C)CC1 ZINC000330048929 526898041 /nfs/dbraw/zinc/89/80/41/526898041.db2.gz KKBXNKQFDMWSSV-UHFFFAOYSA-N 0 0 270.336 2.069 10 30 CEEERN Cc1nc(N)sc1C(=O)Nc1cccc(F)c1C#N ZINC000055171673 526958725 /nfs/dbraw/zinc/95/87/25/526958725.db2.gz IOSMKHXSVUMQJT-UHFFFAOYSA-N 0 0 276.296 2.297 10 30 CEEERN O=c1oc(=O)n(CC#Cc2ccccc2)c2ccccc12 ZINC000062821858 527498260 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184814185 /nfs/dbraw/zinc/81/41/85/184814185.db2.gz FWRWBTGRIQKKCU-JTQLQIEISA-N 0 0 297.445 2.129 10 30 CEEERN N#C[C@@H]1CCC[C@H]1S(=O)(=O)c1cccc(F)c1 ZINC000094626874 184828277 /nfs/dbraw/zinc/82/82/77/184828277.db2.gz DZWFYWCILORVPG-JOYOIKCWSA-N 0 0 253.298 2.292 10 30 CEEERN Cc1ccc(NC(=O)c2cccnc2C)cc1C#CCO ZINC000094649378 184835167 /nfs/dbraw/zinc/83/51/67/184835167.db2.gz VAJQIVIAZBDDNN-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN COc1ccc(F)c(Nc2c(C#N)c(C)nn2C)c1 ZINC000094855450 184881721 /nfs/dbraw/zinc/88/17/21/184881721.db2.gz QVUVDHILOSXEHN-UHFFFAOYSA-N 0 0 260.272 2.492 10 30 CEEERN C=CCO[C@H]1CCN(c2nc(C3CC3)ns2)C1 ZINC000302116712 394472419 /nfs/dbraw/zinc/47/24/19/394472419.db2.gz CGOLIJAYBHBQFM-JTQLQIEISA-N 0 0 251.355 2.197 10 30 CEEERN Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)cc1C ZINC000061889696 394568751 /nfs/dbraw/zinc/56/87/51/394568751.db2.gz XMTGJOGZEXCOIC-OCCSQVGLSA-N 0 0 278.377 2.274 10 30 CEEERN Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061889673 394569222 /nfs/dbraw/zinc/56/92/22/394569222.db2.gz ACVGFBFQWWKBQU-QWHCGFSZSA-N 0 0 278.377 2.274 10 30 CEEERN Cc1cnn([C@H]2CCCN(C[C@@H](C#N)CCC#N)C2)c1 ZINC000247404267 394530352 /nfs/dbraw/zinc/53/03/52/394530352.db2.gz YVCRIYDCQURLHT-CABCVRRESA-N 0 0 271.368 2.272 10 30 CEEERN Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)CCCC#N ZINC000175037304 395130879 /nfs/dbraw/zinc/13/08/79/395130879.db2.gz ZAADPHGJYYCLIH-GFCCVEGCSA-N 0 0 294.376 2.216 10 30 CEEERN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCCC[C@H]1O ZINC000178578867 395169967 /nfs/dbraw/zinc/16/99/67/395169967.db2.gz MAELYYACVXJOAV-UONOGXRCSA-N 0 0 273.336 2.292 10 30 CEEERN N#Cc1cc(F)c(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(F)c1 ZINC000398815534 395237763 /nfs/dbraw/zinc/23/77/63/395237763.db2.gz AUOZUGSWJILRNV-TUAOUCFPSA-N 0 0 278.302 2.434 10 30 CEEERN N#Cc1c(F)cccc1N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398930743 395240926 /nfs/dbraw/zinc/24/09/26/395240926.db2.gz OMWMWWVQGUEEPB-QJPTWQEYSA-N 0 0 260.312 2.295 10 30 CEEERN COC(=O)Cc1cc(C(F)F)c(C#N)cc1OC ZINC000575343518 395660161 /nfs/dbraw/zinc/66/01/61/395660161.db2.gz CSSHFWVVJSIVQV-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN CCOC(=O)c1cc(C#N)cnc1OC(F)(F)F ZINC000575374247 395661336 /nfs/dbraw/zinc/66/13/36/395661336.db2.gz CYSDRNXUUZORBC-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)c1cc(OC(F)(F)F)ncc1C#N ZINC000575374312 395661413 /nfs/dbraw/zinc/66/14/13/395661413.db2.gz MDSATXOLZQOBSO-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)Cc1cc(OC)cc(C#N)c1Cl ZINC000575382792 395662319 /nfs/dbraw/zinc/66/23/19/395662319.db2.gz MFBLRZCICVMMTE-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)Cc1ccc(Cl)c(C#N)c1[N+](=O)[O-] ZINC000575382940 395662590 /nfs/dbraw/zinc/66/25/90/395662590.db2.gz VKGFORAIKHZOOC-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCc1cc(CC(=O)OC)cc(OC(F)F)c1C#N ZINC000575385259 395662830 /nfs/dbraw/zinc/66/28/30/395662830.db2.gz HBTFZWBCHWQHNX-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCc1c(CC(=O)OC)ccc(OC(F)F)c1C#N ZINC000575385523 395662872 /nfs/dbraw/zinc/66/28/72/395662872.db2.gz XNZTYCNGKZXTEM-UHFFFAOYSA-N 0 0 269.247 2.438 10 30 CEEERN CCOC(=O)c1cc(C=O)c(OC(F)F)cc1C#N ZINC000575386182 395663213 /nfs/dbraw/zinc/66/32/13/395663213.db2.gz YFIDIMGCIXBPPM-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN COC(=O)Cc1ccc(C=O)c(C#N)c1C(F)F ZINC000575387883 395663406 /nfs/dbraw/zinc/66/34/06/395663406.db2.gz REIHZUKMTONUHS-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN CCOC(=O)c1c(C#N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575388249 395663617 /nfs/dbraw/zinc/66/36/17/395663617.db2.gz PWCKCFLIIKQTOF-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)Cc1c(C#N)c(CC)ccc1[N+](=O)[O-] ZINC000575388752 395663825 /nfs/dbraw/zinc/66/38/25/395663825.db2.gz CGGORHWKBCDBQL-UHFFFAOYSA-N 0 0 262.265 2.134 10 30 CEEERN CCOC(=O)Cc1cc(C#N)cc(OC(F)F)c1OC ZINC000575388611 395663898 /nfs/dbraw/zinc/66/38/98/395663898.db2.gz NSEYSBDZRCBSLU-UHFFFAOYSA-N 0 0 285.246 2.274 10 30 CEEERN COC(=O)c1ccc(C#Cc2cccc(N)c2)cc1 ZINC000521401827 400602585 /nfs/dbraw/zinc/60/25/85/400602585.db2.gz PYNNNNWQXGUYCU-UHFFFAOYSA-N 0 0 251.285 2.455 10 30 CEEERN COc1ccc(C#N)c(I)c1OC ZINC000034579328 286270425 /nfs/dbraw/zinc/27/04/25/286270425.db2.gz JTVXKTKBFZQQPX-UHFFFAOYSA-N 0 0 289.072 2.180 10 30 CEEERN Cc1ccc([C@H](C)NC(=O)c2ccnc(C#N)c2)o1 ZINC000192682545 153214233 /nfs/dbraw/zinc/21/42/33/153214233.db2.gz GYVQUZRKARLQDX-JTQLQIEISA-N 0 0 255.277 2.346 10 30 CEEERN N#Cc1ccc(Cl)cc1N1CC(n2cccn2)C1 ZINC000363242750 156014037 /nfs/dbraw/zinc/01/40/37/156014037.db2.gz NKDYBXPQTKBEMT-UHFFFAOYSA-N 0 0 258.712 2.469 10 30 CEEERN N#Cc1csc(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000177003068 165181322 /nfs/dbraw/zinc/18/13/22/165181322.db2.gz CKHYQMQPCUSMHZ-LLVKDONJSA-N 0 0 270.313 2.483 10 30 CEEERN N#Cc1csc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000178306077 165231986 /nfs/dbraw/zinc/23/19/86/165231986.db2.gz ZPWYKGWYTRCZOC-CYBMUJFWSA-N 0 0 299.355 2.308 10 30 CEEERN O=C1c2ccccc2C(=O)N1/N=C/c1cccc(O)c1 ZINC000003574406 169898544 /nfs/dbraw/zinc/89/85/44/169898544.db2.gz HTEJVPORKQZWSC-CXUHLZMHSA-N 0 0 266.256 2.022 10 30 CEEERN CCCCNC(=S)N/N=C(/C)c1ccccn1 ZINC000005510074 170105661 /nfs/dbraw/zinc/10/56/61/170105661.db2.gz CIMOUPLMEKWGMR-GDNBJRDFSA-N 0 0 250.371 2.070 10 30 CEEERN CCc1ccc(S(=O)(=O)ON=C2C=CC(=O)C=C2)cc1 ZINC000005544953 170111139 /nfs/dbraw/zinc/11/11/39/170111139.db2.gz FLWUJPLUVNVFSX-UHFFFAOYSA-N 0 0 291.328 2.005 10 30 CEEERN S=C(NCc1ccccc1)N/N=C/c1ccccn1 ZINC000006574868 170214886 /nfs/dbraw/zinc/21/48/86/170214886.db2.gz QQVHGUFLVAECFU-GZTJUZNOSA-N 0 0 270.361 2.080 10 30 CEEERN COc1cc(CN=Nc2oc(C)nc2C#N)ccc1O ZINC000006861396 170250806 /nfs/dbraw/zinc/25/08/06/170250806.db2.gz JYLABUNETLRUBG-VIZOYTHASA-N 0 0 272.264 2.015 10 30 CEEERN C=CCNC(=O)CCSCc1csc(C)n1 ZINC000009040871 170362193 /nfs/dbraw/zinc/36/21/93/170362193.db2.gz BLJPXCONLWNYNQ-UHFFFAOYSA-N 0 0 256.396 2.377 10 30 CEEERN CS(=O)(=O)c1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000019508619 170819678 /nfs/dbraw/zinc/81/96/78/170819678.db2.gz 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DILQEPNISYWPDY-VIFPVBQESA-N 0 0 270.279 2.391 10 30 CEEERN CCCCN(CC)C(=O)c1ccc(/C(N)=N/O)cc1 ZINC000037338639 173139409 /nfs/dbraw/zinc/13/94/09/173139409.db2.gz HXUUJSVHMWNZSU-UHFFFAOYSA-N 0 0 263.341 2.043 10 30 CEEERN CC1N=NC(=S)N1c1ccc(C#N)c(Cl)c1 ZINC000037393509 173173562 /nfs/dbraw/zinc/17/35/62/173173562.db2.gz OFEYOXZFWZLKRQ-UHFFFAOYSA-N 0 0 250.714 2.390 10 30 CEEERN CC(=O)O[C@@H](C#N)CC[P@@](C)(=O)OCC(C)C ZINC000038634226 174149714 /nfs/dbraw/zinc/14/97/14/174149714.db2.gz ZVLFTEXTYRDTHR-DIFFPNOSSA-N 0 0 261.258 2.412 10 30 CEEERN O=C(Nc1ccccc1O)[C@@H]1O[C@H]1c1ccccc1 ZINC000039073263 174162404 /nfs/dbraw/zinc/16/24/04/174162404.db2.gz VAPREBOMBAXIJR-UONOGXRCSA-N 0 0 255.273 2.471 10 30 CEEERN Cc1ccc(S(=O)(=O)NC2(C#N)CCCC2)s1 ZINC000040215431 174204345 /nfs/dbraw/zinc/20/43/45/174204345.db2.gz IUXHTTFGXOVRMH-UHFFFAOYSA-N 0 0 270.379 2.171 10 30 CEEERN CCC(C#N)(CC)NS(=O)(=O)c1cccs1 ZINC000040365495 174248413 /nfs/dbraw/zinc/24/84/13/174248413.db2.gz JKSXHDFNULGRNO-UHFFFAOYSA-N 0 0 258.368 2.109 10 30 CEEERN CC(C)(C#N)N(C1CC1)S(=O)(=O)c1ccnc(Cl)c1 ZINC000040691292 174377496 /nfs/dbraw/zinc/37/74/96/174377496.db2.gz AEAZLPYILCUTQU-UHFFFAOYSA-N 0 0 299.783 2.190 10 30 CEEERN CCOc1cc(C#N)ccc1O[C@@H]1CCCCNC1=O ZINC000042317313 174682846 /nfs/dbraw/zinc/68/28/46/174682846.db2.gz WSYJQXVZCPVQKR-CYBMUJFWSA-N 0 0 274.320 2.004 10 30 CEEERN C#CCOC(=O)c1cc(Br)cc2c1OCC2 ZINC000044676052 175227189 /nfs/dbraw/zinc/22/71/89/175227189.db2.gz QBEMWKMKNYQKTG-UHFFFAOYSA-N 0 0 281.105 2.174 10 30 CEEERN CCN1CCN(C(=O)C2(C#N)CCCCCC2)CC1 ZINC000044765135 175248972 /nfs/dbraw/zinc/24/89/72/175248972.db2.gz BBZNBFFCLXYIHA-UHFFFAOYSA-N 0 0 263.385 2.015 10 30 CEEERN N#CC1(C(=O)NC[C@@H]2CCCO2)CCCCCC1 ZINC000044765121 175249122 /nfs/dbraw/zinc/24/91/22/175249122.db2.gz RNBITYBMWKTSHG-LBPRGKRZSA-N 0 0 250.342 2.146 10 30 CEEERN N#CCCN(Cc1cccnc1)C(=O)C1(C#N)CCCC1 ZINC000044765255 175249124 /nfs/dbraw/zinc/24/91/24/175249124.db2.gz LBFRVRLLXYWNAI-UHFFFAOYSA-N 0 0 282.347 2.408 10 30 CEEERN C[C@H](NC(=O)C1(C#N)CCOCC1)c1cccc(F)c1 ZINC000044766690 175249223 /nfs/dbraw/zinc/24/92/23/175249223.db2.gz SDBJDKBLTMYMLX-NSHDSACASA-N 0 0 276.311 2.323 10 30 CEEERN C[C@@H](Cn1cccn1)NC(=O)C1(C#N)CCCCCC1 ZINC000044766403 175249236 /nfs/dbraw/zinc/24/92/36/175249236.db2.gz QBSFPTBMYPSKOM-ZDUSSCGKSA-N 0 0 274.368 2.252 10 30 CEEERN C[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1F ZINC000044766685 175249445 /nfs/dbraw/zinc/24/94/45/175249445.db2.gz PPROLIKXKCPAKB-LLVKDONJSA-N 0 0 276.311 2.323 10 30 CEEERN CCOC(=O)[C@H]1CCCN1C(=O)C1(C#N)CCCCCC1 ZINC000044767215 175250161 /nfs/dbraw/zinc/25/01/61/175250161.db2.gz OFWNGBFWODHYHP-CYBMUJFWSA-N 0 0 292.379 2.405 10 30 CEEERN N#C[C@H](Cc1ccccc1)C(=O)Nc1ccncc1 ZINC000044811840 175258165 /nfs/dbraw/zinc/25/81/65/175258165.db2.gz WZHRWBHBEXTEEZ-ZDUSSCGKSA-N 0 0 251.289 2.403 10 30 CEEERN CCN(C[C@H](C)C#N)C(=O)[C@H](C#N)Cc1ccccc1 ZINC000044826456 175259969 /nfs/dbraw/zinc/25/99/69/175259969.db2.gz PVWITUDWTLPRDB-HIFRSBDPSA-N 0 0 269.348 2.377 10 30 CEEERN N#C[C@](N)(Cn1ccc(C(F)(F)F)n1)c1ccccc1 ZINC000045207190 175328779 /nfs/dbraw/zinc/32/87/79/175328779.db2.gz GPNLKKJBCCURDX-LBPRGKRZSA-N 0 0 280.253 2.280 10 30 CEEERN CC(C)N[C@@](C)(C#N)CCOC[C@H]1CCCCO1 ZINC000045208417 175328916 /nfs/dbraw/zinc/32/89/16/175328916.db2.gz AYLVXEQZXCPJAP-ZIAGYGMSSA-N 0 0 254.374 2.242 10 30 CEEERN CCCN[C@](C)(C#N)COc1ccc2c(c1)OCO2 ZINC000045208739 175328956 /nfs/dbraw/zinc/32/89/56/175328956.db2.gz YVPKCSLCSJGERT-CQSZACIVSA-N 0 0 262.309 2.076 10 30 CEEERN CC(C)N[C@](C)(C#N)COc1cccc([N+](=O)[O-])c1 ZINC000045214177 175329181 /nfs/dbraw/zinc/32/91/81/175329181.db2.gz OYUHGGNSYAPVMQ-CYBMUJFWSA-N 0 0 263.297 2.254 10 30 CEEERN CCN[C@@](C)(C#N)COc1cc(F)ccc1[N+](=O)[O-] ZINC000045214481 175329223 /nfs/dbraw/zinc/32/92/23/175329223.db2.gz PDAPCCCOEYDFRQ-LBPRGKRZSA-N 0 0 267.260 2.004 10 30 CEEERN CCN[C@](C)(C#N)COc1cc(F)ccc1[N+](=O)[O-] ZINC000045214479 175329273 /nfs/dbraw/zinc/32/92/73/175329273.db2.gz PDAPCCCOEYDFRQ-GFCCVEGCSA-N 0 0 267.260 2.004 10 30 CEEERN C[C@@](N)(C#N)CSc1ccc(C(F)(F)F)cn1 ZINC000045218371 175329509 /nfs/dbraw/zinc/32/95/09/175329509.db2.gz ZJVIMCBFBRLQOL-SECBINFHSA-N 0 0 261.272 2.433 10 30 CEEERN CN[C@@](C)(C#N)CSc1ccccc1[N+](=O)[O-] ZINC000045216172 175329519 /nfs/dbraw/zinc/32/95/19/175329519.db2.gz GHRWXWXTSFYLQW-NSHDSACASA-N 0 0 251.311 2.189 10 30 CEEERN CC(C)N[C@@](C)(C#N)CCOc1ccc(CO)cc1 ZINC000045215114 175329548 /nfs/dbraw/zinc/32/95/48/175329548.db2.gz SQHVPVFZBYOIFW-OAHLLOKOSA-N 0 0 262.353 2.228 10 30 CEEERN C[C@](N)(C#N)CSc1ccc(C(F)(F)F)cn1 ZINC000045218369 175329562 /nfs/dbraw/zinc/32/95/62/175329562.db2.gz ZJVIMCBFBRLQOL-VIFPVBQESA-N 0 0 261.272 2.433 10 30 CEEERN CCOc1ccc2[nH]c(SC[C@](C)(N)C#N)nc2c1 ZINC000045217423 175329667 /nfs/dbraw/zinc/32/96/67/175329667.db2.gz NQOQGRJDFQYQGJ-CYBMUJFWSA-N 0 0 276.365 2.295 10 30 CEEERN CCN[C@@](C)(C#N)CCCOc1ccc2c(c1)OCO2 ZINC000045326338 175359517 /nfs/dbraw/zinc/35/95/17/175359517.db2.gz QSIDDCULHIPUDG-OAHLLOKOSA-N 0 0 276.336 2.466 10 30 CEEERN CCN[C@](C)(C#N)CCCCOCCOC(C)C ZINC000045326255 175359633 /nfs/dbraw/zinc/35/96/33/175359633.db2.gz VPXUIGFGNSSGAK-AWEZNQCLSA-N 0 0 256.390 2.490 10 30 CEEERN CCOc1ccc2[nH]c(SC[C@H](C#N)NC)nc2c1 ZINC000045333761 175360595 /nfs/dbraw/zinc/36/05/95/175360595.db2.gz RERGBBKZIOLYEF-VIFPVBQESA-N 0 0 276.365 2.165 10 30 CEEERN CN[C@@](C)(C#N)CCCSc1nnc2n1CCCCC2 ZINC000045364479 175362631 /nfs/dbraw/zinc/36/26/31/175362631.db2.gz SHOISJSWVGPSGE-CQSZACIVSA-N 0 0 293.440 2.378 10 30 CEEERN Cc1ccc(COc2cncc(C#CCO)c2)cc1 ZINC000070487377 175955197 /nfs/dbraw/zinc/95/51/97/175955197.db2.gz FHJXBJATJGCXEZ-UHFFFAOYSA-N 0 0 253.301 2.313 10 30 CEEERN CN[C@@](C)(C#N)CSc1ncccc1Br ZINC000070615632 175997390 /nfs/dbraw/zinc/99/73/90/175997390.db2.gz RJCFIKBSOFZKPM-JTQLQIEISA-N 0 0 286.198 2.438 10 30 CEEERN CC[C@@H](CC#N)n1cc(I)cn1 ZINC000070677598 176001089 /nfs/dbraw/zinc/00/10/89/176001089.db2.gz GOHFQSGGJZLDQX-QMMMGPOBSA-N 0 0 275.093 2.352 10 30 CEEERN N#Cc1ccc(S(=O)(=O)N(CC2CC2)C2CC2)cc1 ZINC000070940045 176014220 /nfs/dbraw/zinc/01/42/20/176014220.db2.gz NHWCJVKUEJRFOZ-UHFFFAOYSA-N 0 0 276.361 2.121 10 30 CEEERN COc1cc(OC)cc(OCC[C@H](C#N)NC(C)C)c1 ZINC000071139099 176037662 /nfs/dbraw/zinc/03/76/62/176037662.db2.gz GBDXWGZTYBXQRX-GFCCVEGCSA-N 0 0 278.352 2.363 10 30 CEEERN CC[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C(C)C ZINC000071140736 176039067 /nfs/dbraw/zinc/03/90/67/176039067.db2.gz OIFHEJYPVAMKNZ-CYBMUJFWSA-N 0 0 284.356 2.410 10 30 CEEERN CN(Cc1cc(N)ccc1Cl)c1cnc(C#N)cn1 ZINC000071178467 176055672 /nfs/dbraw/zinc/05/56/72/176055672.db2.gz OYWNTWGFNFYLPX-UHFFFAOYSA-N 0 0 273.727 2.220 10 30 CEEERN COc1cc(-c2nnc(CC#N)[nH]2)cc(Cl)c1OC ZINC000071196997 176076839 /nfs/dbraw/zinc/07/68/39/176076839.db2.gz OSGJPEXFNSSEOK-UHFFFAOYSA-N 0 0 278.699 2.208 10 30 CEEERN C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C#CCCO)c1 ZINC000071210921 176082926 /nfs/dbraw/zinc/08/29/26/176082926.db2.gz GXDGPZFGVLAIPK-CJNGLKHVSA-N 0 0 271.360 2.339 10 30 CEEERN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1C#CCCO ZINC000071210897 176082966 /nfs/dbraw/zinc/08/29/66/176082966.db2.gz BQOWYEHLGJYDNH-WBMJQRKESA-N 0 0 289.350 2.478 10 30 CEEERN C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#CCCO)cc1F ZINC000071210910 176083025 /nfs/dbraw/zinc/08/30/25/176083025.db2.gz BFZVQGIWVGFEOC-LRDDRELGSA-N 0 0 289.350 2.478 10 30 CEEERN COCCN(CCC#N)[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000071226781 176090037 /nfs/dbraw/zinc/09/00/37/176090037.db2.gz JBFVUMKFKMKANX-LBPRGKRZSA-N 0 0 278.327 2.259 10 30 CEEERN COCCN(CCC#N)C(=O)Nc1cccc([C@H](C)O)c1 ZINC000071232831 176092712 /nfs/dbraw/zinc/09/27/12/176092712.db2.gz OJPVUSIEBLORRI-LBPRGKRZSA-N 0 0 291.351 2.134 10 30 CEEERN N#Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000071264103 176097419 /nfs/dbraw/zinc/09/74/19/176097419.db2.gz DCORUYJTCXUCJN-IINYFYTJSA-N 0 0 276.311 2.430 10 30 CEEERN Cc1ccc(C(=O)NCc2ccc(C#CCO)s2)cc1 ZINC000071322186 176122956 /nfs/dbraw/zinc/12/29/56/176122956.db2.gz CNBCLYIBHTUHTN-UHFFFAOYSA-N 0 0 285.368 2.330 10 30 CEEERN O=C(NCc1ccc(C#CCCO)s1)c1ccsc1 ZINC000071322920 176123471 /nfs/dbraw/zinc/12/34/71/176123471.db2.gz ZAFAXKUINUMUFL-UHFFFAOYSA-N 0 0 291.397 2.474 10 30 CEEERN C=CCN(C[C@H](C)C(=O)OC)C(=O)C1CCCCC1 ZINC000071605205 176229613 /nfs/dbraw/zinc/22/96/13/176229613.db2.gz SCLQYIBCJPXEGD-LBPRGKRZSA-N 0 0 267.369 2.390 10 30 CEEERN C=CCN(CCC(=O)OCC)C(=O)c1ccccc1 ZINC000071606841 176230631 /nfs/dbraw/zinc/23/06/31/176230631.db2.gz OXPRZPOKAKOCHT-UHFFFAOYSA-N 0 0 261.321 2.268 10 30 CEEERN COCCN1C(=O)c2c(cccc2Cl)C1C#N ZINC000071678880 176243434 /nfs/dbraw/zinc/24/34/34/176243434.db2.gz CXLQWOPEFQWCPL-SNVBAGLBSA-N 0 0 250.685 2.007 10 30 CEEERN CC(C)(CO)CN1C(=O)c2c(cccc2Cl)C1C#N ZINC000071678906 176243781 /nfs/dbraw/zinc/24/37/81/176243781.db2.gz IUZZGVXWECGYDC-LLVKDONJSA-N 0 0 278.739 2.379 10 30 CEEERN CCCN1C(=O)c2cc(OC)cc(OC)c2C1C#N ZINC000071680623 176244752 /nfs/dbraw/zinc/24/47/52/176244752.db2.gz FMZBYHIVRCYJAL-NSHDSACASA-N 0 0 260.293 2.134 10 30 CEEERN N#Cc1cc(Cl)ccc1N1CC[C@H](CCO)C1 ZINC000078365316 177335904 /nfs/dbraw/zinc/33/59/04/177335904.db2.gz UZQYKBRMUZPBNZ-SNVBAGLBSA-N 0 0 250.729 2.420 10 30 CEEERN Cc1nnc(N(C)CCC(F)(F)F)c(C#N)c1C ZINC000078597983 177358461 /nfs/dbraw/zinc/35/84/61/177358461.db2.gz FJWODBJFJCRQLE-UHFFFAOYSA-N 0 0 258.247 2.354 10 30 CEEERN C[C@@H]1CCC(=O)N(CC(=O)c2ccc(C#N)cc2)CC1 ZINC000079247269 177456419 /nfs/dbraw/zinc/45/64/19/177456419.db2.gz IJKPXMJXZQIBBQ-GFCCVEGCSA-N 0 0 270.332 2.390 10 30 CEEERN N#C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)cc1 ZINC000079806386 177562266 /nfs/dbraw/zinc/56/22/66/177562266.db2.gz WJGGUHSIRLXCFR-SNVBAGLBSA-N 0 0 266.247 2.416 10 30 CEEERN N#C[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000079810944 177563809 /nfs/dbraw/zinc/56/38/09/177563809.db2.gz KKCYLCAABPWLMA-SNVBAGLBSA-N 0 0 286.303 2.032 10 30 CEEERN CC(C)[C@H](C#N)N1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000079857213 177570406 /nfs/dbraw/zinc/57/04/06/177570406.db2.gz VVQBDGSUYZPMDC-XJKSGUPXSA-N 0 0 270.332 2.251 10 30 CEEERN Cc1nn(CC(=O)Nc2ccccc2C#N)cc1Cl ZINC000080010979 177595286 /nfs/dbraw/zinc/59/52/86/177595286.db2.gz HDEQCBYRIHJZKJ-UHFFFAOYSA-N 0 0 274.711 2.355 10 30 CEEERN O=C(NCCC1CCOCC1)[C@H]1CCn2cncc2C1 ZINC000329001867 227254475 /nfs/dbraw/zinc/25/44/75/227254475.db2.gz WBWVFVWAURPQTL-ZDUSSCGKSA-N 0 0 277.368 2.219 10 30 CEEERN Cc1c(NC(=O)C[C@H]2CCCCNC2=O)cnn1C ZINC000329572985 227612026 /nfs/dbraw/zinc/61/20/26/227612026.db2.gz VBMLDEMJPDNFPD-SNVBAGLBSA-N 0 0 264.329 2.463 10 30 CEEERN O=C(NCCC1CCOCC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330215473 228068496 /nfs/dbraw/zinc/06/84/96/228068496.db2.gz MKTXWMWTFGHMNF-AWEZNQCLSA-N 0 0 296.411 2.408 10 30 CEEERN CCOC(=O)C[C@H](NC(=O)CC#N)c1ccccc1C ZINC000187611253 262141637 /nfs/dbraw/zinc/14/16/37/262141637.db2.gz BHCOVJXVHUVAKI-ZDUSSCGKSA-N 0 0 274.320 2.019 10 30 CEEERN CCc1nn(C)cc1CNC(=O)N1CCC=C(C)C1 ZINC000328613676 263828439 /nfs/dbraw/zinc/82/84/39/263828439.db2.gz QNPAUHKHNZSEMP-UHFFFAOYSA-N 0 0 262.357 2.049 10 30 CEEERN C[C@@H](C#N)CN(C(=O)C[C@@H]1CCCCC(=O)N1)C1CC1 ZINC000328638273 263830840 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C[C@@H]1CCCN(C(=O)c2ccncc2C#CCCO)CC1 ZINC000091459640 180160664 /nfs/dbraw/zinc/16/06/64/180160664.db2.gz OUQWKZNEFBCLEQ-CQSZACIVSA-N 0 0 286.375 2.078 10 30 CEEERN CN(CC1CCCCC1)C(=O)c1ccncc1C#CCO ZINC000091458425 180160815 /nfs/dbraw/zinc/16/08/15/180160815.db2.gz DXFWLPHJMGODSJ-UHFFFAOYSA-N 0 0 286.375 2.078 10 30 CEEERN CC1(C)CCCN(C(=O)c2ccncc2C#CCCO)C1 ZINC000091459955 180161276 /nfs/dbraw/zinc/16/12/76/180161276.db2.gz TWFXYWQUVFUONY-UHFFFAOYSA-N 0 0 286.375 2.078 10 30 CEEERN C[C@H](NC(=O)c1ccncc1C#CCCO)C1CCCC1 ZINC000091459966 180161721 /nfs/dbraw/zinc/16/17/21/180161721.db2.gz LFXBCCZIQQBCTG-ZDUSSCGKSA-N 0 0 286.375 2.124 10 30 CEEERN CSC1(C#N)CCN([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000091474986 180165255 /nfs/dbraw/zinc/16/52/55/180165255.db2.gz IPRSRDQKJRHHGP-ZDUSSCGKSA-N 0 0 297.468 2.258 10 30 CEEERN C#CCN[C@@H](C(=O)OC)c1ccc(Br)c(C)c1 ZINC000091471883 180165724 /nfs/dbraw/zinc/16/57/24/180165724.db2.gz IGBUBVLRCWDLEU-GFCCVEGCSA-N 0 0 296.164 2.194 10 30 CEEERN Cc1ncccc1NC(=O)c1ccc(C#CCO)c(F)c1 ZINC000091497931 180173080 /nfs/dbraw/zinc/17/30/80/180173080.db2.gz QVDHZCDZCDEONC-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN Cc1ncccc1NC(=O)c1cc(C#CCO)ccc1F ZINC000091497935 180173392 /nfs/dbraw/zinc/17/33/92/180173392.db2.gz YUURXILIZPCOER-UHFFFAOYSA-N 0 0 284.290 2.125 10 30 CEEERN CCCc1nn(C)c(NCc2cccc(C#N)c2)c1N ZINC000091578210 180198375 /nfs/dbraw/zinc/19/83/75/180198375.db2.gz LZVQFZWRKLESBT-UHFFFAOYSA-N 0 0 269.352 2.439 10 30 CEEERN N#Cc1nc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1N ZINC000091546545 180187004 /nfs/dbraw/zinc/18/70/04/180187004.db2.gz VWUCVZSJPVIKEO-UHFFFAOYSA-N 0 0 264.628 2.357 10 30 CEEERN N#C[C@H]1CNCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000091750092 180246117 /nfs/dbraw/zinc/24/61/17/180246117.db2.gz SFZRFMVQFMEAMW-NSHDSACASA-N 0 0 298.268 2.035 10 30 CEEERN N#Cc1cccc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000105567411 186063976 /nfs/dbraw/zinc/06/39/76/186063976.db2.gz NLSFXTYFUPEPCR-KBPBESRZSA-N 0 0 266.300 2.009 10 30 CEEERN CN(c1ccc(C#N)cc1[N+](=O)[O-])C1CCC(=O)CC1 ZINC000091854327 180274202 /nfs/dbraw/zinc/27/42/02/180274202.db2.gz CFDMRJOLUKFPEE-UHFFFAOYSA-N 0 0 273.292 2.414 10 30 CEEERN N#Cc1ncccc1Cn1ccc([C@H](O)C2CC2)c1 ZINC000091834270 180267393 /nfs/dbraw/zinc/26/73/93/180267393.db2.gz WMKTWJVWYSTOBJ-OAHLLOKOSA-N 0 0 253.305 2.246 10 30 CEEERN Cc1cc(NC(=O)N2CCCC2)ccc1C#CCCO ZINC000091968629 180294372 /nfs/dbraw/zinc/29/43/72/180294372.db2.gz FOINYWCPGYUUQM-UHFFFAOYSA-N 0 0 272.348 2.357 10 30 CEEERN N#CC1([C@H](O)c2ccc(F)c(F)c2)CCOCC1 ZINC000091882129 180279435 /nfs/dbraw/zinc/27/94/35/180279435.db2.gz WNIONYOROBAKIU-GFCCVEGCSA-N 0 0 253.248 2.319 10 30 CEEERN N#C[C@]1([C@]2(O)CCCOCC2)CCOc2ccccc21 ZINC000091903156 180283137 /nfs/dbraw/zinc/28/31/37/180283137.db2.gz PCAZECAMUOAMQC-CVEARBPZSA-N 0 0 273.332 2.162 10 30 CEEERN O=C(NCc1cc(C#CCO)cs1)N1CCCCCC1 ZINC000091971817 180295645 /nfs/dbraw/zinc/29/56/45/180295645.db2.gz HDWJOULPBMOYMZ-UHFFFAOYSA-N 0 0 292.404 2.178 10 30 CEEERN CC1CCN(C(=O)NCc2cc(C#CCO)cs2)CC1 ZINC000091992362 180300354 /nfs/dbraw/zinc/30/03/54/180300354.db2.gz LQKKAGOKEXPDFG-UHFFFAOYSA-N 0 0 292.404 2.033 10 30 CEEERN N#CCCCOc1cccc(NC(=O)CCCO)c1 ZINC000092154094 180335401 /nfs/dbraw/zinc/33/54/01/180335401.db2.gz ABEFJXMHFQKQLQ-UHFFFAOYSA-N 0 0 262.309 2.080 10 30 CEEERN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(CC#N)cc2)C1 ZINC000092131013 180330070 /nfs/dbraw/zinc/33/00/70/180330070.db2.gz KDMNYBPIDPMMLI-STQMWFEESA-N 0 0 292.404 2.419 10 30 CEEERN C#CCN[C@]1(C(=O)OCC)CCCc2ccc(OC)cc21 ZINC000092387047 180374887 /nfs/dbraw/zinc/37/48/87/180374887.db2.gz RMILGQRYCCGTTF-QGZVFWFLSA-N 0 0 287.359 2.013 10 30 CEEERN C#CC[N@H+](CC(=O)[O-])[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000092491481 180396010 /nfs/dbraw/zinc/39/60/10/180396010.db2.gz KAFIOYPHEYDPMY-BFHYXJOUSA-N 0 0 251.370 2.467 10 30 CEEERN CN1CCO[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000109129209 186243933 /nfs/dbraw/zinc/24/39/33/186243933.db2.gz HQQHOLHZGIENET-LBPRGKRZSA-N 0 0 299.296 2.320 10 30 CEEERN C#CCN(CCC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000108910474 186235496 /nfs/dbraw/zinc/23/54/96/186235496.db2.gz SEFYDULBRRKFBF-UHFFFAOYSA-N 0 0 260.293 2.389 10 30 CEEERN COc1nc(Cl)nc(NCc2ccc(C#N)cc2F)n1 ZINC000109542449 186261244 /nfs/dbraw/zinc/26/12/44/186261244.db2.gz CNWPQXIUSLMDDZ-UHFFFAOYSA-N 0 0 293.689 2.156 10 30 CEEERN N#Cc1ccccc1Oc1ccc2c(c1)NC(=O)[C@H]2N ZINC000109574276 186264386 /nfs/dbraw/zinc/26/43/86/186264386.db2.gz SWZRVISDUMROGP-AWEZNQCLSA-N 0 0 265.272 2.302 10 30 CEEERN Cc1ccc(C(=O)Nc2ccc(C)c(C#CCO)c2)cn1 ZINC000109434301 186252436 /nfs/dbraw/zinc/25/24/36/186252436.db2.gz BNDPPIGHGYORKA-UHFFFAOYSA-N 0 0 280.327 2.295 10 30 CEEERN C[C@@H](C#N)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000109445068 186252871 /nfs/dbraw/zinc/25/28/71/186252871.db2.gz SFLOWDRODSDKIQ-JTQLQIEISA-N 0 0 295.745 2.149 10 30 CEEERN CC(C)(C#N)N1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000109447617 186253046 /nfs/dbraw/zinc/25/30/46/186253046.db2.gz FYWVVNTULQBSEG-UHFFFAOYSA-N 0 0 293.317 2.025 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000109445814 186253065 /nfs/dbraw/zinc/25/30/65/186253065.db2.gz GHPAACGQPHAQRU-LBPRGKRZSA-N 0 0 293.317 2.025 10 30 CEEERN C[C@H](C#N)N1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000109451786 186253280 /nfs/dbraw/zinc/25/32/80/186253280.db2.gz SDLSQIBNSFMWBD-CQSZACIVSA-N 0 0 280.375 2.264 10 30 CEEERN C[C@H](C#N)N1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000109451797 186253304 /nfs/dbraw/zinc/25/33/04/186253304.db2.gz CZHLSBOIRQWHIF-CQSZACIVSA-N 0 0 280.375 2.264 10 30 CEEERN CC(C)N[C@](C)(C#N)CCCCO[C@@H]1CCOC1 ZINC000110531154 186302060 /nfs/dbraw/zinc/30/20/60/186302060.db2.gz CKAUWOMDGBJFDO-KGLIPLIRSA-N 0 0 254.374 2.242 10 30 CEEERN CN(CCC#N)c1cc(OC(F)F)c(F)cc1N ZINC000110635830 186308026 /nfs/dbraw/zinc/30/80/26/186308026.db2.gz WDHGMGGPUZDPJB-UHFFFAOYSA-N 0 0 259.231 2.359 10 30 CEEERN C=CCN[C@H](C(=O)OC)c1ccc(OC)c(OC)c1Cl ZINC000110830628 186327162 /nfs/dbraw/zinc/32/71/62/186327162.db2.gz VLPDLWGDUOKPBW-LBPRGKRZSA-N 0 0 299.754 2.347 10 30 CEEERN OCC#Cc1ccc(CSc2cnccn2)c(F)c1 ZINC000110914226 186332781 /nfs/dbraw/zinc/33/27/81/186332781.db2.gz XWCMLRHFDXTIFK-UHFFFAOYSA-N 0 0 274.320 2.252 10 30 CEEERN Cc1nccn1CCn1c2ccccc2nc1CC#N ZINC000110950413 186335287 /nfs/dbraw/zinc/33/52/87/186335287.db2.gz DVOQRMOKAOJROG-UHFFFAOYSA-N 0 0 265.320 2.308 10 30 CEEERN CCOC(=O)[C@@H](C)Cn1c(CC#N)nc2ccccc21 ZINC000110951875 186336171 /nfs/dbraw/zinc/33/61/71/186336171.db2.gz UPQUVSLCSOFMMW-NSHDSACASA-N 0 0 271.320 2.302 10 30 CEEERN CCOC(=O)[C@H](C)Cn1c(CC#N)nc2ccccc21 ZINC000110951878 186336513 /nfs/dbraw/zinc/33/65/13/186336513.db2.gz UPQUVSLCSOFMMW-LLVKDONJSA-N 0 0 271.320 2.302 10 30 CEEERN CC(C)N[C@](C)(C#N)Cn1c2ccccc2nc1CC#N ZINC000110952280 186336796 /nfs/dbraw/zinc/33/67/96/186336796.db2.gz KRMCBJDLYJDSNZ-MRXNPFEDSA-N 0 0 281.363 2.383 10 30 CEEERN N#Cc1ccc(NC(=O)CSc2ccncn2)cc1 ZINC000111114182 186353545 /nfs/dbraw/zinc/35/35/45/186353545.db2.gz LFYRJTKWNWVCNZ-UHFFFAOYSA-N 0 0 270.317 2.079 10 30 CEEERN CCCOCCO[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000111108784 186354146 /nfs/dbraw/zinc/35/41/46/186354146.db2.gz IROWVJMPGNWJME-LBPRGKRZSA-N 0 0 276.336 2.328 10 30 CEEERN CCN[C@](C#N)(CN(CC)CCOCC)c1ccccc1 ZINC000111121538 186355723 /nfs/dbraw/zinc/35/57/23/186355723.db2.gz FCJLRXMYPCFELP-QGZVFWFLSA-N 0 0 289.423 2.373 10 30 CEEERN CCCCN(C)C(=O)c1sccc1C#CCCO ZINC000111531222 186426284 /nfs/dbraw/zinc/42/62/84/186426284.db2.gz KFXOMWPIBQDMGL-UHFFFAOYSA-N 0 0 265.378 2.354 10 30 CEEERN Cc1ccc(CNC(=O)c2sccc2C#CCCO)o1 ZINC000111535818 186427011 /nfs/dbraw/zinc/42/70/11/186427011.db2.gz FAEFXRQTYABKCM-UHFFFAOYSA-N 0 0 289.356 2.313 10 30 CEEERN CC[C@@H]1CCCCN1C(=O)c1sccc1C#CCO ZINC000111532603 186427253 /nfs/dbraw/zinc/42/72/53/186427253.db2.gz MNKCIBASJRKIFL-CYBMUJFWSA-N 0 0 277.389 2.497 10 30 CEEERN C[C@H]1CCCN(C(=O)c2sccc2C#CCO)[C@H]1C ZINC000111535509 186427444 /nfs/dbraw/zinc/42/74/44/186427444.db2.gz HHCZKFSRAKFTFO-RYUDHWBXSA-N 0 0 277.389 2.353 10 30 CEEERN C[C@@H]1CC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000115911457 186689481 /nfs/dbraw/zinc/68/94/81/186689481.db2.gz ATIZQJKKHJVIHZ-SSDOTTSWSA-N 0 0 282.221 2.476 10 30 CEEERN C[C@H](Nc1ncccc1C#N)c1nnc2n1CCCC2 ZINC000131096948 366019868 /nfs/dbraw/zinc/01/98/68/366019868.db2.gz KIRKLGXALWIZTN-JTQLQIEISA-N 0 0 268.324 2.054 10 30 CEEERN CC(C)(C)OC(=O)N1CC[C@@](C=O)(C(F)(F)F)C1 ZINC000169804919 188665816 /nfs/dbraw/zinc/66/58/16/188665816.db2.gz DYCASGWXOOYWGB-SNVBAGLBSA-N 0 0 267.247 2.375 10 30 CEEERN COC(=O)c1cc(C=O)cc(C#N)c1OC(F)(F)F ZINC000575390856 366267243 /nfs/dbraw/zinc/26/72/43/366267243.db2.gz GQSZFLDIILLPPN-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN COC(=O)c1c(C#N)ccc(OC(F)(F)F)c1C=O ZINC000575390937 366267664 /nfs/dbraw/zinc/26/76/64/366267664.db2.gz KBLQMNIQXMKCLX-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN COC(=O)c1cc(C#N)c(C=O)cc1OC(F)(F)F ZINC000575391282 366268100 /nfs/dbraw/zinc/26/81/00/366268100.db2.gz SGWVSDWNFRIZDW-UHFFFAOYSA-N 0 0 273.166 2.056 10 30 CEEERN CCOC(=O)Cc1cc(C=O)cc(C(F)(F)F)c1C#N ZINC000575391245 366268154 /nfs/dbraw/zinc/26/81/54/366268154.db2.gz IVHPEWKXDFAUIL-UHFFFAOYSA-N 0 0 285.221 2.495 10 30 CEEERN CCOC(=O)c1cc(OC(F)(F)F)c(O)cc1C#N ZINC000575391525 366268318 /nfs/dbraw/zinc/26/83/18/366268318.db2.gz LOCCXDYGYONACY-UHFFFAOYSA-N 0 0 275.182 2.339 10 30 CEEERN CCOC(=O)c1c(C#N)c(C=O)ccc1OC(F)(F)F ZINC000575391299 366268733 /nfs/dbraw/zinc/26/87/33/366268733.db2.gz SXNFYOQHITWSEP-UHFFFAOYSA-N 0 0 287.193 2.446 10 30 CEEERN CCOC(=O)c1cc(C(F)(F)F)cc(C#N)c1O ZINC000575392248 366270977 /nfs/dbraw/zinc/27/09/77/366270977.db2.gz PJCQOPNADXAYPX-UHFFFAOYSA-N 0 0 259.183 2.459 10 30 CEEERN COC(=O)c1c(OC)ccc(OC(F)(F)F)c1C#N ZINC000575394031 366272961 /nfs/dbraw/zinc/27/29/61/366272961.db2.gz FPNDJZHUODCLJN-UHFFFAOYSA-N 0 0 275.182 2.252 10 30 CEEERN COC(=O)Cc1c(OC(F)(F)F)ccc(C#N)c1OC ZINC000575394363 366273392 /nfs/dbraw/zinc/27/33/92/366273392.db2.gz ITHQBMNREDOCOX-UHFFFAOYSA-N 0 0 289.209 2.181 10 30 CEEERN COC(=O)Cc1c(C#N)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575395490 366275890 /nfs/dbraw/zinc/27/58/90/366275890.db2.gz FZWVMHSOZYYPQD-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN COC(=O)Cc1cc([N+](=O)[O-])cc(C#N)c1C(F)(F)F ZINC000575395953 366277365 /nfs/dbraw/zinc/27/73/65/366277365.db2.gz XWPWZTPCDSFCTQ-UHFFFAOYSA-N 0 0 288.181 2.201 10 30 CEEERN N#CCc1cc([N+](=O)[O-])cc(C#N)c1OC(F)(F)F ZINC000575647790 366311538 /nfs/dbraw/zinc/31/15/38/366311538.db2.gz IBFCGZKQAIOOOV-UHFFFAOYSA-N 0 0 271.154 2.431 10 30 CEEERN N#CCc1cc([N+](=O)[O-])cc(OC(F)(F)F)c1C#N ZINC000575647419 366311713 /nfs/dbraw/zinc/31/17/13/366311713.db2.gz FVGBJRHTDYLJNE-UHFFFAOYSA-N 0 0 271.154 2.431 10 30 CEEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCS[C@@H](C)C1 ZINC000134344035 366310227 /nfs/dbraw/zinc/31/02/27/366310227.db2.gz FBOICXPSBPLVKV-RYUDHWBXSA-N 0 0 289.404 2.323 10 30 CEEERN N#CCc1cc([N+](=O)[O-])c(N)cc1Br ZINC000575714129 366341335 /nfs/dbraw/zinc/34/13/35/366341335.db2.gz BZJVRPBLBAYYCT-UHFFFAOYSA-N 0 0 256.059 2.006 10 30 CEEERN Cc1cc(CC#N)c(N)cc1I ZINC000575719023 366344262 /nfs/dbraw/zinc/34/42/62/366344262.db2.gz NCSQUGHPSNSSHM-UHFFFAOYSA-N 0 0 272.089 2.248 10 30 CEEERN CC[C@@H](C#N)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000109464649 535389779 /nfs/dbraw/zinc/38/97/79/535389779.db2.gz JANCQORDWLXBEN-NSHDSACASA-N 0 0 292.314 2.158 10 30 CEEERN CC#CCC(=O)[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685962090 540663457 /nfs/dbraw/zinc/66/34/57/540663457.db2.gz UDYVGKFVFUMWTK-MNOVXSKESA-N 0 0 251.326 2.130 10 30 CEEERN C=CCNC(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000080584775 363671853 /nfs/dbraw/zinc/67/18/53/363671853.db2.gz UYNIHFQRJXPNLW-RYUDHWBXSA-N 0 0 297.399 2.165 10 30 CEEERN N#Cc1nc(NCCCCn2cnnc2)ccc1Cl ZINC000301419905 201002514 /nfs/dbraw/zinc/00/25/14/201002514.db2.gz CGAWSNPISXHETK-UHFFFAOYSA-N 0 0 276.731 2.090 10 30 CEEERN C#CC[C@H](C(=O)OC)c1ccc(C(=O)OC)cc1C ZINC000015810031 361479627 /nfs/dbraw/zinc/47/96/27/361479627.db2.gz OPHYHRSSGOPOCJ-ZDUSSCGKSA-N 0 0 260.289 2.062 10 30 CEEERN COC(C/N=C/c1cccc(Br)c1)OC ZINC000100285586 364543622 /nfs/dbraw/zinc/54/36/22/364543622.db2.gz YSHLGZYOYSZWIS-NTUHNPAUSA-N 0 0 272.142 2.487 10 30 in-vitro CEEERN N#Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000103294748 364638772 /nfs/dbraw/zinc/63/87/72/364638772.db2.gz ZSJPPIVRWGRDQG-OLZOCXBDSA-N 0 0 277.299 2.122 10 30 CEEERN N#Cc1cccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000105802071 364703265 /nfs/dbraw/zinc/70/32/65/364703265.db2.gz LHSIWEHZRJHVMM-MRXNPFEDSA-N 0 0 293.374 2.107 10 30 CEEERN CCCCCCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112660546 364823643 /nfs/dbraw/zinc/82/36/43/364823643.db2.gz YAYQXFMKBBCPFV-LBPRGKRZSA-N 0 0 264.373 2.070 10 30 CEEERN C=CCCC(C)(C)CNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000638873479 370811808 /nfs/dbraw/zinc/81/18/08/370811808.db2.gz ANHBAYDKILPYQD-JTQLQIEISA-N 0 0 260.328 2.092 10 30 CEEERN Cc1cc(NCc2nnc3n2CCCC3)c(C#N)c(C)n1 ZINC000160496440 367010776 /nfs/dbraw/zinc/01/07/76/367010776.db2.gz LYIUCYYQUHSGQK-UHFFFAOYSA-N 0 0 282.351 2.110 10 30 CEEERN Cc1cc(C#N)cc(-n2ccc(C(F)(F)F)n2)n1 ZINC000161139256 367060592 /nfs/dbraw/zinc/06/05/92/367060592.db2.gz UQTQZMIDOSLANT-UHFFFAOYSA-N 0 0 252.199 2.466 10 30 CEEERN CN(CC#N)C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000170627160 367388293 /nfs/dbraw/zinc/38/82/93/367388293.db2.gz UBLRAPXPNIXTIY-KGLIPLIRSA-N 0 0 258.321 2.136 10 30 CEEERN C#Cc1cccc(NC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000174786056 368067685 /nfs/dbraw/zinc/06/76/85/368067685.db2.gz RNDNWHZPPLXPAK-HNNXBMFYSA-N 0 0 295.346 2.128 10 30 CEEERN N#CC1(CS(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000180382440 368378397 /nfs/dbraw/zinc/37/83/97/368378397.db2.gz GIMPQMVZKGEMAZ-AWEZNQCLSA-N 0 0 290.388 2.287 10 30 CEEERN C=CCC1(C(=O)N2CCN(CCOCC)[C@@H](C)C2)CCC1 ZINC000191888258 369749958 /nfs/dbraw/zinc/74/99/58/369749958.db2.gz LKQQOHOLVHADLS-HNNXBMFYSA-N 0 0 294.439 2.302 10 30 CEEERN COc1ccc(Oc2nccnc2C#N)cc1[N+](=O)[O-] ZINC000232311295 370503519 /nfs/dbraw/zinc/50/35/19/370503519.db2.gz HHDGKSWWPBBIPD-UHFFFAOYSA-N 0 0 272.220 2.057 10 30 CEEERN O=C[C@@]12C[C@@H]1CN(C(=O)OCc1ccccc1)CC2 ZINC000259939888 371629964 /nfs/dbraw/zinc/62/99/64/371629964.db2.gz FXRFTWDOBNLEQF-UKRRQHHQSA-N 0 0 259.305 2.234 10 30 CEEERN Cn1cc([C@H]2CCCN2c2cnccc2C#N)cn1 ZINC000271265407 373184249 /nfs/dbraw/zinc/18/42/49/373184249.db2.gz LIPOPCUIDBJDGQ-CYBMUJFWSA-N 0 0 253.309 2.028 10 30 CEEERN CC(=O)c1ccc(C#N)c(N2CCC[C@@H](n3cncn3)C2)c1 ZINC000273219338 373750045 /nfs/dbraw/zinc/75/00/45/373750045.db2.gz OWMCYEPKCRVVSF-OAHLLOKOSA-N 0 0 295.346 2.194 10 30 CEEERN C=CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000302175879 379325902 /nfs/dbraw/zinc/32/59/02/379325902.db2.gz QVDNDIRDWBYHOI-NSHDSACASA-N 0 0 263.297 2.080 10 30 CEEERN COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])c(C#N)n2)c1 ZINC000302709773 379431006 /nfs/dbraw/zinc/43/10/06/379431006.db2.gz HUCJNSMAPHBDNT-UHFFFAOYSA-N 0 0 299.242 2.440 10 30 CEEERN C#CCNC(=O)CNc1nc(-c2ccc(F)cc2)cs1 ZINC000302757492 379446697 /nfs/dbraw/zinc/44/66/97/379446697.db2.gz WJHRDVYWCKNUGN-UHFFFAOYSA-N 0 0 289.335 2.111 10 30 CEEERN C#CCC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405820818 542275849 /nfs/dbraw/zinc/27/58/49/542275849.db2.gz XEEPQAQCTNSKOT-GHMZBOCLSA-N 0 0 251.326 2.272 10 30 CEEERN C#CCC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406051895 542281276 /nfs/dbraw/zinc/28/12/76/542281276.db2.gz DGAWCJQLLZTJSG-GFCCVEGCSA-N 0 0 251.326 2.272 10 30 CEEERN O=C(NCCC1CCCCC1)N1CC(O)(C2CC2)C1 ZINC000329232152 227369437 /nfs/dbraw/zinc/36/94/37/227369437.db2.gz FUAKEJHPAIUTHJ-UHFFFAOYSA-N 0 0 266.385 2.328 10 30 CEEERN COc1ccc(C(=O)N(CC#N)C(C)C)c(OC)c1 ZINC000080213488 177626659 /nfs/dbraw/zinc/62/66/59/177626659.db2.gz JANRZEXAJRKSDS-UHFFFAOYSA-N 0 0 262.309 2.078 10 30 CEEERN N#C[C@@]1(N)CCC[C@@H]1CCn1cc(C(F)(F)F)cn1 ZINC000093576566 184692197 /nfs/dbraw/zinc/69/21/97/184692197.db2.gz JKCZOPQDIJIGNO-KOLCDFICSA-N 0 0 272.274 2.313 10 30 CEEERN COc1cccc(N[C@@H](C#N)c2cnn(C)c2C)c1 ZINC000093650999 184703056 /nfs/dbraw/zinc/70/30/56/184703056.db2.gz RCOPIEPTEOTFQL-AWEZNQCLSA-N 0 0 256.309 2.414 10 30 CEEERN CN(c1cccc(C#N)c1)c1ccc([N+](=O)[O-])c(N)n1 ZINC000094261112 184770781 /nfs/dbraw/zinc/77/07/81/184770781.db2.gz LAYULAXBDHVIJO-UHFFFAOYSA-N 0 0 269.264 2.212 10 30 CEEERN C#CCN1C(=O)N=C(N)[C@H]1c1ccc2ccccc2c1 ZINC000094516857 184813193 /nfs/dbraw/zinc/81/31/93/184813193.db2.gz IQXFBLULAJIGSE-CQSZACIVSA-N 0 0 263.300 2.307 10 30 CEEERN Cc1cc(C(=O)N(C)C[C@H]2C[C@@H]2C)sc1C#CCO ZINC000094535452 184814555 /nfs/dbraw/zinc/81/45/55/184814555.db2.gz KKCROFQWYAUCCC-CMPLNLGQSA-N 0 0 277.389 2.128 10 30 CEEERN CS(=O)(=O)[C@@H]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC000094636561 184831646 /nfs/dbraw/zinc/83/16/46/184831646.db2.gz MGFSYQWOHFIWOY-CHWSQXEVSA-N 0 0 279.361 2.293 10 30 CEEERN CC[C@@H](C#N)N1CCN(C(=O)C2(C)CCCC2)CC1 ZINC000094901824 184890339 /nfs/dbraw/zinc/89/03/39/184890339.db2.gz ONSVWFYAZKXYRZ-ZDUSSCGKSA-N 0 0 263.385 2.013 10 30 CEEERN C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1cccs1 ZINC000165697189 533483725 /nfs/dbraw/zinc/48/37/25/533483725.db2.gz FWDHGBNEONCRPC-SECBINFHSA-N 0 0 293.373 2.054 10 30 CEEERN COc1cc(C#N)ccc1OC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191347462 130223794 /nfs/dbraw/zinc/22/37/94/130223794.db2.gz ZBWSYDYAPKDSAZ-ZYHUDNBSSA-N 0 0 275.304 2.287 10 30 CEEERN N#Cc1ccc(N2C(=O)CC3(CCCC3)NC2=O)cc1 ZINC000084145432 135031693 /nfs/dbraw/zinc/03/16/93/135031693.db2.gz GMZWIEBYDLMSOK-UHFFFAOYSA-N 0 0 269.304 2.317 10 30 CEEERN CS[C@H](CO)[C@H](C)Nc1cc(C)nc(C)c1C#N ZINC000219764659 394461299 /nfs/dbraw/zinc/46/12/99/394461299.db2.gz FZNIREZYTZHWLU-GXFFZTMASA-N 0 0 265.382 2.094 10 30 CEEERN C=CCCC[C@@H](C)Nc1nn2c(nccc2=O)s1 ZINC000302031624 394470751 /nfs/dbraw/zinc/47/07/51/394470751.db2.gz SFZUJBHCNAAYPX-SECBINFHSA-N 0 0 264.354 2.308 10 30 CEEERN C#C[C@](C)(CC)Oc1ncc(Br)cn1 ZINC000306171219 394514082 /nfs/dbraw/zinc/51/40/82/394514082.db2.gz SNMFXZVRIPKLIM-SNVBAGLBSA-N 0 0 255.115 2.420 10 30 CEEERN CC[C@](C)(C#N)C(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000355688629 394503020 /nfs/dbraw/zinc/50/30/20/394503020.db2.gz ZORACBNNEZWLFP-COPLHBTASA-N 0 0 252.358 2.246 10 30 CEEERN Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061889672 394569054 /nfs/dbraw/zinc/56/90/54/394569054.db2.gz ACVGFBFQWWKBQU-OLZOCXBDSA-N 0 0 278.377 2.274 10 30 CEEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000061889681 394569178 /nfs/dbraw/zinc/56/91/78/394569178.db2.gz VGFITVDKXDGFHO-DZGCQCFKSA-N 0 0 290.388 2.146 10 30 CEEERN O=C(C#CBr)N[C@@H]1CC12CCCCC2 ZINC000307002881 394519743 /nfs/dbraw/zinc/51/97/43/394519743.db2.gz CPNQJGVOOUNAQG-SECBINFHSA-N 0 0 256.143 2.181 10 30 CEEERN N#Cc1cccc(NC[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000125939085 394845205 /nfs/dbraw/zinc/84/52/05/394845205.db2.gz UOLNZZXVNMAWRV-JQWIXIFHSA-N 0 0 261.281 2.039 10 30 CEEERN N#Cc1ccc(N2CCCCN2)c(Br)c1 ZINC000400676261 395253957 /nfs/dbraw/zinc/25/39/57/395253957.db2.gz UYXVWVKYLJTBIU-UHFFFAOYSA-N 0 0 266.142 2.426 10 30 CEEERN Cc1cc(C#N)ccc1CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000185985036 395285098 /nfs/dbraw/zinc/28/50/98/395285098.db2.gz XZZNIHXOQIPGOI-HUUCEWRRSA-N 0 0 280.327 2.318 10 30 CEEERN COC(=O)Cc1cc(C(F)F)c(OC)cc1C#N ZINC000575343605 395660193 /nfs/dbraw/zinc/66/01/93/395660193.db2.gz PSKHQTPGXLMLSJ-UHFFFAOYSA-N 0 0 255.220 2.220 10 30 CEEERN COC(=O)c1cc(C#N)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575344212 395660317 /nfs/dbraw/zinc/66/03/17/395660317.db2.gz VJTZVNPHHYXTIV-UHFFFAOYSA-N 0 0 256.164 2.191 10 30 CEEERN CCOC(=O)c1cc(OC(F)(F)F)c(C#N)cn1 ZINC000575374258 395661283 /nfs/dbraw/zinc/66/12/83/395661283.db2.gz FPNDZOGRMFFADW-UHFFFAOYSA-N 0 0 260.171 2.029 10 30 CEEERN CCOC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1C#N ZINC000575382858 395662309 /nfs/dbraw/zinc/66/23/09/395662309.db2.gz HYPJBSMUYAJPKY-UHFFFAOYSA-N 0 0 268.656 2.225 10 30 CEEERN CCOC(=O)Cc1cc(Cl)c(C#N)c(OC)c1 ZINC000575382783 395662313 /nfs/dbraw/zinc/66/23/13/395662313.db2.gz DHGASECRRSUUPS-UHFFFAOYSA-N 0 0 253.685 2.326 10 30 CEEERN CCOC(=O)c1cc(C#N)c(Br)c([N+](=O)[O-])c1 ZINC000575383407 395662623 /nfs/dbraw/zinc/66/26/23/395662623.db2.gz FMYMILPJRZFHHP-UHFFFAOYSA-N 0 0 299.080 2.406 10 30 CEEERN CCOC(=O)Cc1ccc(OC)c(Br)c1C#N ZINC000575383008 395662636 /nfs/dbraw/zinc/66/26/36/395662636.db2.gz OJAOPWXAPBTBQQ-UHFFFAOYSA-N 0 0 298.136 2.435 10 30 CEEERN CCOC(=O)c1c(O)ccc(OC(F)F)c1C#N ZINC000575385708 395662887 /nfs/dbraw/zinc/66/28/87/395662887.db2.gz GAFMZRWBSMZRLR-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)c1cc(C#N)cc(OC(F)F)c1O ZINC000575385946 395663018 /nfs/dbraw/zinc/66/30/18/395663018.db2.gz PBNZFKGYPDNKOZ-UHFFFAOYSA-N 0 0 257.192 2.042 10 30 CEEERN CCOC(=O)c1c(OC(F)F)ccc(C#N)c1C=O ZINC000575385766 395663039 /nfs/dbraw/zinc/66/30/39/395663039.db2.gz JOLOPWPJFYEOAE-UHFFFAOYSA-N 0 0 269.203 2.149 10 30 CEEERN CCOC(=O)Cc1cc(F)c(OC(F)F)c(C#N)c1 ZINC000575385959 395663040 /nfs/dbraw/zinc/66/30/40/395663040.db2.gz PWSUHLXNYIMNDO-UHFFFAOYSA-N 0 0 273.210 2.404 10 30 CEEERN COC(=O)Cc1c(C)ccc(OC(F)F)c1C#N ZINC000575387154 395663125 /nfs/dbraw/zinc/66/31/25/395663125.db2.gz BEOIJEZRMMBQCT-UHFFFAOYSA-N 0 0 255.220 2.184 10 30 CEEERN COC(=O)Cc1cc(C=O)c(C#N)c(C(F)F)c1 ZINC000575387387 395663161 /nfs/dbraw/zinc/66/31/61/395663161.db2.gz DPSDCZFXUNGTLJ-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN COC(=O)Cc1cc(C(F)F)c(C=O)cc1C#N ZINC000575387793 395663404 /nfs/dbraw/zinc/66/34/04/395663404.db2.gz OPURZUCKEOHXFL-UHFFFAOYSA-N 0 0 253.204 2.024 10 30 CEEERN CCOC(=O)c1cc(C#N)cc([N+](=O)[O-])c1OC(F)F ZINC000575388301 395663594 /nfs/dbraw/zinc/66/35/94/395663594.db2.gz SDYKCAJDKUKFMM-UHFFFAOYSA-N 0 0 286.190 2.245 10 30 CEEERN CCOC(=O)c1ccc(C=O)c(C#N)c1C(F)F ZINC000575389694 395664078 /nfs/dbraw/zinc/66/40/78/395664078.db2.gz JXKIZZZPTQFPTI-UHFFFAOYSA-N 0 0 253.204 2.485 10 30 CEEERN CC(C)/C=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584641726 400613087 /nfs/dbraw/zinc/61/30/87/400613087.db2.gz MZWTURRDLOQSNL-YRNVUSSQSA-N 0 0 256.283 2.010 10 30 CEEERN NC(=NO)c1nccc2c(Br)cccc21 ZINC000521401513 400602592 /nfs/dbraw/zinc/60/25/92/400602592.db2.gz USUNPGRLRMJOQX-UHFFFAOYSA-N 0 0 266.098 2.092 10 30 CEEERN CN1CC[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1=O ZINC000166796551 162355029 /nfs/dbraw/zinc/35/50/29/162355029.db2.gz DZVAXHKQRPMFDO-NSHDSACASA-N 0 0 283.253 2.220 10 30 CEEERN COc1cc(OC)c2c(c1)C(C#N)N(C(C)=O)C=C2 ZINC000005283469 170082414 /nfs/dbraw/zinc/08/24/14/170082414.db2.gz MOARBCOQKVMFBE-ZDUSSCGKSA-N 0 0 258.277 2.101 10 30 CEEERN O=[N+]([O-])c1ccccc1N=NCc1ccc(O)cc1O ZINC000005514932 170106834 /nfs/dbraw/zinc/10/68/34/170106834.db2.gz XPCWCRUKQKJEBZ-RIYZIHGNSA-N 0 0 273.248 2.452 10 30 CEEERN C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccco1 ZINC000006189171 170181361 /nfs/dbraw/zinc/18/13/61/170181361.db2.gz BCDHHLYINCDFIX-LFIBNONCSA-N 0 0 255.277 2.202 10 30 CEEERN CCOC(=O)/C(=N\Nc1ccccc1OC)N(CC)CC ZINC000006937436 170256800 /nfs/dbraw/zinc/25/68/00/170256800.db2.gz YFIXCJBCNXHJNH-SAPNQHFASA-N 0 0 293.367 2.326 10 30 CEEERN C[C@H]1CC(=NNc2nc(O)cs2)CC(C)(C)C1 ZINC000008577727 170341249 /nfs/dbraw/zinc/34/12/49/170341249.db2.gz GKIBALMFDWYXPK-UEFOHQGUSA-N 0 0 253.371 2.408 10 30 CEEERN N#CCOc1ccc(NC(=O)c2ccccc2N)cc1 ZINC000019675878 170837043 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/nfs/dbraw/zinc/99/62/46/175996246.db2.gz STSQBXSXCBXZSG-UHFFFAOYSA-N 0 0 281.138 2.421 10 30 CEEERN C[C@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1nccs1 ZINC000070942147 176015431 /nfs/dbraw/zinc/01/54/31/176015431.db2.gz YYEDWUOMJMUOSI-ZETCQYMHSA-N 0 0 275.293 2.491 10 30 CEEERN N#CCc1nnc(Cc2ccc(F)cc2Cl)[nH]1 ZINC000071196974 176076554 /nfs/dbraw/zinc/07/65/54/176076554.db2.gz GVSPQODQVRGWKB-UHFFFAOYSA-N 0 0 250.664 2.254 10 30 CEEERN N#Cc1cc(S(=O)(=O)Nc2cccc(O)c2)ccc1F ZINC000071239685 176094424 /nfs/dbraw/zinc/09/44/24/176094424.db2.gz XVCXAXWYIUIVDK-UHFFFAOYSA-N 0 0 292.291 2.204 10 30 CEEERN CCC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)C(=O)[O-] ZINC000071263839 176096967 /nfs/dbraw/zinc/09/69/67/176096967.db2.gz FWUWYPMBNRSPPV-GFCCVEGCSA-N 0 0 250.273 2.040 10 30 CEEERN CC(C)C[N@H+](CC(=O)[O-])Cc1ccc(F)cc1C#N ZINC000071264113 176097225 /nfs/dbraw/zinc/09/72/25/176097225.db2.gz PDUPFRXWNWAHJV-UHFFFAOYSA-N 0 0 264.300 2.240 10 30 CEEERN CC[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H](C)C(=O)[O-] ZINC000071264086 176097248 /nfs/dbraw/zinc/09/72/48/176097248.db2.gz CSMWGXGKRXBHDA-SNVBAGLBSA-N 0 0 264.300 2.240 10 30 CEEERN CC(C)(C)CC(=O)NCc1cc(C#CCO)cs1 ZINC000071321822 176122444 /nfs/dbraw/zinc/12/24/44/176122444.db2.gz WRVXOZRGGBYAPQ-UHFFFAOYSA-N 0 0 265.378 2.144 10 30 CEEERN N#Cc1cccc(NC(=O)CCCn2ccsc2=O)c1 ZINC000071350973 176134561 /nfs/dbraw/zinc/13/45/61/176134561.db2.gz GNFXMWDSAZVCGI-UHFFFAOYSA-N 0 0 287.344 2.200 10 30 CEEERN Cc1sc(=O)n(Cc2ccc(F)cc2C#CCO)c1C ZINC000071351778 176135163 /nfs/dbraw/zinc/13/51/63/176135163.db2.gz IQLJDKQHVQAPKF-UHFFFAOYSA-N 0 0 291.347 2.058 10 30 CEEERN Cc1ccc2c(c1)[C@@H](C#N)N(CCCn1ccnc1)C2=O ZINC000071678079 176243088 /nfs/dbraw/zinc/24/30/88/176243088.db2.gz XXRIKSUGHRMAKE-OAHLLOKOSA-N 0 0 280.331 2.302 10 30 CEEERN CC[C@@H](CO)N1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681124 176245435 /nfs/dbraw/zinc/24/54/35/176245435.db2.gz DOJFUPGXGWKLMO-GZMMTYOYSA-N 0 0 298.264 2.497 10 30 CEEERN COC(=O)CN1C(=O)c2c(ccc(Cl)c2Cl)C1C#N ZINC000071681855 176245691 /nfs/dbraw/zinc/24/56/91/176245691.db2.gz MRGNLJXKACVYQU-QMMMGPOBSA-N 0 0 299.113 2.187 10 30 CEEERN C#CCOC(=O)c1ccc(-c2ccc(OC)c(N)c2)o1 ZINC000073640388 176480862 /nfs/dbraw/zinc/48/08/62/176480862.db2.gz FYTFWGMSDSWDHY-UHFFFAOYSA-N 0 0 271.272 2.327 10 30 CEEERN C=CC[C@@H](C)NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000077021406 177153731 /nfs/dbraw/zinc/15/37/31/177153731.db2.gz RDNFESVMYOTECJ-VXGBXAGGSA-N 0 0 282.384 2.324 10 30 CEEERN C=CCNC(=O)[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000078239822 177328092 /nfs/dbraw/zinc/32/80/92/177328092.db2.gz VCKSNTOFOZMMST-CQSZACIVSA-N 0 0 274.364 2.052 10 30 CEEERN COCCc1ccc(-c2ccc(C#N)c(N)n2)cc1 ZINC000078900195 177403585 /nfs/dbraw/zinc/40/35/85/177403585.db2.gz UECSPSYMHPZCGI-UHFFFAOYSA-N 0 0 253.305 2.391 10 30 CEEERN C[C@H]1CCC(=O)N(Cc2ccc(F)c(C#CCO)c2)CC1 ZINC000079247657 177456572 /nfs/dbraw/zinc/45/65/72/177456572.db2.gz ZSIAZIDJCLOSON-ZDUSSCGKSA-N 0 0 289.350 2.318 10 30 CEEERN N#C[C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 ZINC000079810080 177563040 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