smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C#N)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000004287654 210150991 /nfs/dbraw/zinc/15/09/91/210150991.db2.gz SWYKCLCKFZDNOO-HNNXBMFYSA-N 0 0 362.502 5.236 20 30 FKEDRN C[C@@H](C#N)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC000004329239 210078998 /nfs/dbraw/zinc/07/89/98/210078998.db2.gz NVAZBCOPJJKFBS-AWEZNQCLSA-N 0 0 354.523 5.362 20 30 FKEDRN C[C@H](C#N)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 ZINC000004329240 203809738 /nfs/dbraw/zinc/80/97/38/203809738.db2.gz NVAZBCOPJJKFBS-CQSZACIVSA-N 0 0 354.523 5.362 20 30 FKEDRN C=CCn1c2ccccc2nc1SCC(=O)Nc1ccccc1C(C)C ZINC000004485688 568374711 /nfs/dbraw/zinc/37/47/11/568374711.db2.gz FKMPQAVXTRHKFB-UHFFFAOYSA-N 0 0 365.502 5.077 20 30 FKEDRN C[C@H](C#N)Sc1nc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000004801593 206688466 /nfs/dbraw/zinc/68/84/66/206688466.db2.gz QARHIAFAGHBYMI-LLVKDONJSA-N 0 0 370.275 5.063 20 30 FKEDRN N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc2ccccc2c1 ZINC000004886693 568375658 /nfs/dbraw/zinc/37/56/58/568375658.db2.gz QFNVHQIXQKAWDP-UHFFFAOYSA-N 0 0 352.846 5.096 20 30 FKEDRN N#Cc1ccc(Cl)cc1NC(=O)CSc1c(Cl)cccc1Cl ZINC000005038186 568377513 /nfs/dbraw/zinc/37/75/13/568377513.db2.gz XDZFNGCRZIJGEZ-UHFFFAOYSA-N 0 0 371.676 5.249 20 30 FKEDRN N#CCCn1cc(C(=O)CSc2ccccc2Cl)c2ccccc21 ZINC000005405126 568387931 /nfs/dbraw/zinc/38/79/31/568387931.db2.gz ZPMMIAWVIVPRNZ-UHFFFAOYSA-N 0 0 354.862 5.183 20 30 FKEDRN CC(C)c1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000005407220 568387960 /nfs/dbraw/zinc/38/79/60/568387960.db2.gz KKZCRWDOLZEUTB-UHFFFAOYSA-N 0 0 370.452 5.366 20 30 FKEDRN N#CCCn1cc(C(=O)CSc2ccc3ccccc3n2)c2ccccc21 ZINC000005626859 568391594 /nfs/dbraw/zinc/39/15/94/568391594.db2.gz BGGAFEKCWSJOCO-UHFFFAOYSA-N 0 0 371.465 5.078 20 30 FKEDRN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)n1 ZINC000005642906 210085839 /nfs/dbraw/zinc/08/58/39/210085839.db2.gz HOYCUFHUDSLTJX-MRXNPFEDSA-N 0 0 367.518 5.121 20 30 FKEDRN N#CCCn1cc(C(=O)CSc2ccc(Cl)cc2)c2ccccc21 ZINC000005710327 568392275 /nfs/dbraw/zinc/39/22/75/568392275.db2.gz JYPRFBZRHPHIFC-UHFFFAOYSA-N 0 0 354.862 5.183 20 30 FKEDRN N#Cc1cccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000005987836 568396586 /nfs/dbraw/zinc/39/65/86/568396586.db2.gz GTAUQVDRWJYWNA-UHFFFAOYSA-N 0 0 368.465 5.098 20 30 FKEDRN N#CCCn1cc(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000006038125 568397277 /nfs/dbraw/zinc/39/72/77/568397277.db2.gz ZVHPFKBHGLZZAL-UHFFFAOYSA-N 0 0 373.239 5.123 20 30 FKEDRN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 ZINC000006071435 210088858 /nfs/dbraw/zinc/08/88/58/210088858.db2.gz ZDQDNFYEZQHZIX-UHFFFAOYSA-N 0 0 371.893 5.085 20 30 FKEDRN C=CCn1c(SCc2ccccc2OC)nnc1-c1ccc(Cl)cc1 ZINC000006071597 568397875 /nfs/dbraw/zinc/39/78/75/568397875.db2.gz CCNIDUCLRRBYPI-UHFFFAOYSA-N 0 0 371.893 5.085 20 30 FKEDRN N#CCCOCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000006242395 568400320 /nfs/dbraw/zinc/40/03/20/568400320.db2.gz BPEUNCHDQRCPOP-UHFFFAOYSA-N 0 0 350.443 5.031 20 30 FKEDRN N#CCCn1cc(C(=O)COc2cccc(Cl)c2Cl)c2ccccc21 ZINC000006361856 568402710 /nfs/dbraw/zinc/40/27/10/568402710.db2.gz ILWNUJZPIAQOJQ-UHFFFAOYSA-N 0 0 373.239 5.123 20 30 FKEDRN N#CCCn1cc(C(=O)COc2c(Cl)cccc2Cl)c2ccccc21 ZINC000006533140 568403693 /nfs/dbraw/zinc/40/36/93/568403693.db2.gz NCCRXRYSPYBXEQ-UHFFFAOYSA-N 0 0 373.239 5.123 20 30 FKEDRN Cc1ccc(C[C@@H](C#N)Sc2nnc(Nc3cccc(C)c3)s2)cc1 ZINC000007044616 568424191 /nfs/dbraw/zinc/42/41/91/568424191.db2.gz FKETVOLXXLSQHN-KRWDZBQOSA-N 0 0 366.515 5.126 20 30 FKEDRN Cc1ccc(C[C@H](C#N)Sc2nnc(Nc3cccc(C)c3)s2)cc1 ZINC000007044626 568424138 /nfs/dbraw/zinc/42/41/38/568424138.db2.gz FKETVOLXXLSQHN-QGZVFWFLSA-N 0 0 366.515 5.126 20 30 FKEDRN Cc1ccc(C[C@@H](C#N)Sc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000007160984 568460567 /nfs/dbraw/zinc/46/05/67/568460567.db2.gz PRLHZQVPMGPNOY-AWEZNQCLSA-N 0 0 373.403 5.184 20 30 FKEDRN Cc1ccc(C[C@H](C#N)Sc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000007160986 568460546 /nfs/dbraw/zinc/46/05/46/568460546.db2.gz PRLHZQVPMGPNOY-CQSZACIVSA-N 0 0 373.403 5.184 20 30 FKEDRN C[C@H](Sc1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000007175505 204290526 /nfs/dbraw/zinc/29/05/26/204290526.db2.gz ASOSPYJCMOKILN-LBPRGKRZSA-N 0 0 374.506 5.147 20 30 FKEDRN C[C@@H](Sc1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000007175506 219793523 /nfs/dbraw/zinc/79/35/23/219793523.db2.gz ASOSPYJCMOKILN-GFCCVEGCSA-N 0 0 374.506 5.147 20 30 FKEDRN N#Cc1ccc(CSCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000007210322 568214498 /nfs/dbraw/zinc/21/44/98/568214498.db2.gz URRAJLXLPVJWTP-UHFFFAOYSA-N 0 0 358.466 5.244 20 30 FKEDRN Cc1cccc(Oc2ccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)cc2)c1 ZINC000007243324 568224433 /nfs/dbraw/zinc/22/44/33/568224433.db2.gz LWMZPHDIIWDMPQ-KRWDZBQOSA-N 0 0 371.440 5.098 20 30 FKEDRN Cc1cccc(Oc2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)cc2)c1 ZINC000007243327 568224435 /nfs/dbraw/zinc/22/44/35/568224435.db2.gz LWMZPHDIIWDMPQ-QGZVFWFLSA-N 0 0 371.440 5.098 20 30 FKEDRN COc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000007277062 568485341 /nfs/dbraw/zinc/48/53/41/568485341.db2.gz XJVWZCQFEHXOEK-UHFFFAOYSA-N 0 0 362.816 5.140 20 30 FKEDRN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000007277717 568485459 /nfs/dbraw/zinc/48/54/59/568485459.db2.gz VULJPBNCWLCTHS-UHFFFAOYSA-N 0 0 350.780 5.270 20 30 FKEDRN N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(Cl)cc1F ZINC000007277832 568485501 /nfs/dbraw/zinc/48/55/01/568485501.db2.gz QXXJYBBFRIKXDU-UHFFFAOYSA-N 0 0 350.780 5.270 20 30 FKEDRN Cc1cccc2sc(NC(=O)c3ccccc3-c3ccccc3C#N)nc21 ZINC000007279302 568485905 /nfs/dbraw/zinc/48/59/05/568485905.db2.gz QIXZRHHICRHGIF-UHFFFAOYSA-N 0 0 369.449 5.396 20 30 FKEDRN Cc1ccc(C[C@@H](C#N)Sc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000007426763 568507198 /nfs/dbraw/zinc/50/71/98/568507198.db2.gz RXQPRJFHCJDDJK-HNNXBMFYSA-N 0 0 365.527 5.106 20 30 FKEDRN Cc1ccc(C[C@H](C#N)Sc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000007426764 568507227 /nfs/dbraw/zinc/50/72/27/568507227.db2.gz RXQPRJFHCJDDJK-OAHLLOKOSA-N 0 0 365.527 5.106 20 30 FKEDRN N#CCCn1cc(C(=O)COc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000007483219 568526896 /nfs/dbraw/zinc/52/68/96/568526896.db2.gz JKXYDCVDESCQSB-UHFFFAOYSA-N 0 0 373.239 5.123 20 30 FKEDRN C=CCn1c(SCc2cc(Cl)ccc2OC)nnc1-c1ccccc1 ZINC000007632523 568563297 /nfs/dbraw/zinc/56/32/97/568563297.db2.gz QWGLNJOOWPCCQP-UHFFFAOYSA-N 0 0 371.893 5.085 20 30 FKEDRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000007668841 207201891 /nfs/dbraw/zinc/20/18/91/207201891.db2.gz YLYITCUKNATNFT-MRXNPFEDSA-N 0 0 350.462 5.211 20 30 FKEDRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000007668843 207201885 /nfs/dbraw/zinc/20/18/85/207201885.db2.gz YLYITCUKNATNFT-INIZCTEOSA-N 0 0 350.462 5.211 20 30 FKEDRN N#Cc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc43)n2)cc1 ZINC000007670430 568251602 /nfs/dbraw/zinc/25/16/02/568251602.db2.gz MVKVMAPFDMHILL-UHFFFAOYSA-N 0 0 369.449 5.016 20 30 FKEDRN N#Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000007670665 219815119 /nfs/dbraw/zinc/81/51/19/219815119.db2.gz YMQYJTAJNNJYLE-UHFFFAOYSA-N 0 0 374.252 5.241 20 30 FKEDRN N#CCCn1cc(-c2csc(NCc3ccccc3)n2)c2ccccc21 ZINC000007763222 568257030 /nfs/dbraw/zinc/25/70/30/568257030.db2.gz PZYDMYLBKHAZGD-UHFFFAOYSA-N 0 0 358.470 5.291 20 30 FKEDRN COc1ccccc1-c1nc(-c2cn(CCC#N)c3ccccc23)cs1 ZINC000007846147 568261514 /nfs/dbraw/zinc/26/15/14/568261514.db2.gz GUJSOFQKHQBDFA-UHFFFAOYSA-N 0 0 359.454 5.354 20 30 FKEDRN N#Cc1c(NC(=O)CCSc2ccccc2F)sc2c1CCCCC2 ZINC000007910390 568264763 /nfs/dbraw/zinc/26/47/63/568264763.db2.gz PNFOURBSLVZRNK-UHFFFAOYSA-N 0 0 374.506 5.149 20 30 FKEDRN COc1cc(C#N)ccc1Oc1ncnc2sc(-c3ccccc3)cc21 ZINC000008063479 567870323 /nfs/dbraw/zinc/87/03/23/567870323.db2.gz RDDNCHCFSIAVAN-UHFFFAOYSA-N 0 0 359.410 5.031 20 30 FKEDRN COc1cc(C#N)ccc1Oc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000008063481 568290341 /nfs/dbraw/zinc/29/03/41/568290341.db2.gz GFUYEVPEUVBKIH-UHFFFAOYSA-N 0 0 373.437 5.339 20 30 FKEDRN N#CCCn1cc(/C=C/c2nc3cc(Cl)ccc3o2)c(-c2ccccc2)n1 ZINC000008321227 568300807 /nfs/dbraw/zinc/30/08/07/568300807.db2.gz UCJTWRNUZFSQFI-JXMROGBWSA-N 0 0 374.831 5.429 20 30 FKEDRN N#Cc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1Cl ZINC000008331454 568303151 /nfs/dbraw/zinc/30/31/51/568303151.db2.gz VQNKVIAWKYPMIE-UHFFFAOYSA-N 0 0 362.816 5.043 20 30 FKEDRN CC(C)Sc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000009620354 219883903 /nfs/dbraw/zinc/88/39/03/219883903.db2.gz AUKVMTLSVURSGP-UHFFFAOYSA-N 0 0 356.516 5.251 20 30 FKEDRN C=C(C)COc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000009823793 210137840 /nfs/dbraw/zinc/13/78/40/210137840.db2.gz BVHQJYAYYUEZMF-UHFFFAOYSA-N 0 0 357.862 5.762 20 30 FKEDRN Cc1cc(C)c(C#N)c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000012476556 204467988 /nfs/dbraw/zinc/46/79/88/204467988.db2.gz NAVOTUUFQAKXEM-FQEVSTJZSA-N 0 0 373.481 5.042 20 30 FKEDRN C=CCN(C(=O)c1ccc2ccccc2n1)c1nc(-c2ccccc2)cs1 ZINC000014723851 220131047 /nfs/dbraw/zinc/13/10/47/220131047.db2.gz PVVMQBMIOFVSSQ-UHFFFAOYSA-N 0 0 371.465 5.191 20 30 FKEDRN C=CCN(C(=O)c1ccc(F)cc1Cl)c1nc(-c2ccccc2)cs1 ZINC000014723951 220131193 /nfs/dbraw/zinc/13/11/93/220131193.db2.gz FIOWSPKFJODXEW-UHFFFAOYSA-N 0 0 372.852 5.435 20 30 FKEDRN N#CCc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000015029815 211114283 /nfs/dbraw/zinc/11/42/83/211114283.db2.gz POHVYACTZMZWBT-UHFFFAOYSA-N 0 0 372.268 5.043 20 30 FKEDRN CC(C)(C)c1ccc(-c2nnc(SCCC#N)n2-c2ccccc2)cc1 ZINC000015235504 220150444 /nfs/dbraw/zinc/15/04/44/220150444.db2.gz HDFDCFJOOWDTOK-UHFFFAOYSA-N 0 0 362.502 5.238 20 30 FKEDRN Cc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1C ZINC000015318680 211126603 /nfs/dbraw/zinc/12/66/03/211126603.db2.gz XNCKFSWAVIZZKA-UHFFFAOYSA-N 0 0 358.466 5.579 20 30 FKEDRN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c(C)c1 ZINC000015336577 220152996 /nfs/dbraw/zinc/15/29/96/220152996.db2.gz FBUPULBPXKQHQI-SFHVURJKSA-N 0 0 370.452 5.248 20 30 FKEDRN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000015336680 211126756 /nfs/dbraw/zinc/12/67/56/211126756.db2.gz QLZFDOIQBGTJRA-GOSISDBHSA-N 0 0 370.452 5.248 20 30 FKEDRN N#Cc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1Cl ZINC000015541704 211131569 /nfs/dbraw/zinc/13/15/69/211131569.db2.gz SFLRZQVUTYRCGG-UHFFFAOYSA-N 0 0 365.216 5.471 20 30 FKEDRN COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)ccc2c1 ZINC000015599069 220157194 /nfs/dbraw/zinc/15/71/94/220157194.db2.gz XTLFNQWUDBDBTM-ZDUSSCGKSA-N 0 0 364.832 5.116 20 30 FKEDRN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000015801002 568253900 /nfs/dbraw/zinc/25/39/00/568253900.db2.gz SNSXODIHKBMPLG-MRXNPFEDSA-N 0 0 374.465 5.115 20 30 FKEDRN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000015801003 568253947 /nfs/dbraw/zinc/25/39/47/568253947.db2.gz SNSXODIHKBMPLG-INIZCTEOSA-N 0 0 374.465 5.115 20 30 FKEDRN N#CCc1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000015818182 207568190 /nfs/dbraw/zinc/56/81/90/207568190.db2.gz RNUXRXPABKZZSA-UHFFFAOYSA-N 0 0 365.436 5.008 20 30 FKEDRN Cc1cc(F)ccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000015975920 220173919 /nfs/dbraw/zinc/17/39/19/220173919.db2.gz QKAJYURSTJPUKL-UHFFFAOYSA-N 0 0 365.248 5.424 20 30 FKEDRN Cc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1C ZINC000016031210 220175910 /nfs/dbraw/zinc/17/59/10/220175910.db2.gz GYERLALIONVORH-UHFFFAOYSA-N 0 0 358.466 5.579 20 30 FKEDRN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccc(C#N)cc3)cc2)c(F)c1 ZINC000021372692 207770885 /nfs/dbraw/zinc/77/08/85/207770885.db2.gz VXIQGLXLLWEHAF-MRXNPFEDSA-N 0 0 374.415 5.079 20 30 FKEDRN CC(=O)Nc1ccc(SCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000022415732 207808605 /nfs/dbraw/zinc/80/86/05/207808605.db2.gz SLQTXFCLUIKIJX-UHFFFAOYSA-N 0 0 358.466 5.476 20 30 FKEDRN N#Cc1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 ZINC000022885425 211367874 /nfs/dbraw/zinc/36/78/74/211367874.db2.gz VHMBHGQHIIYHHN-UHFFFAOYSA-N 0 0 374.252 5.241 20 30 FKEDRN C=CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c21)c1ccccc1 ZINC000022993993 203865486 /nfs/dbraw/zinc/86/54/86/203865486.db2.gz MKKVUKPRUXBLNF-UHFFFAOYSA-N 0 0 369.424 5.031 20 30 FKEDRN C[C@@H](C#N)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 ZINC000023473515 207848276 /nfs/dbraw/zinc/84/82/76/207848276.db2.gz JRTUCVHOPWWQTM-HNNXBMFYSA-N 0 0 368.550 5.752 20 30 FKEDRN N#Cc1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000024701758 567994524 /nfs/dbraw/zinc/99/45/24/567994524.db2.gz WQYKNMGOIJYCAS-UHFFFAOYSA-N 0 0 353.636 5.090 20 30 FKEDRN C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1C1CC1 ZINC000024830733 210161329 /nfs/dbraw/zinc/16/13/29/210161329.db2.gz FMNKESMVHRUFQJ-UHFFFAOYSA-N 0 0 370.909 5.144 20 30 FKEDRN N#Cc1ccccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025462686 568278578 /nfs/dbraw/zinc/27/85/78/568278578.db2.gz XPCAZZFNFPYYBT-UHFFFAOYSA-N 0 0 360.360 5.280 20 30 FKEDRN CC(C)CC[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000027091394 568292946 /nfs/dbraw/zinc/29/29/46/568292946.db2.gz LPDYTVYMTYKEQT-MRXNPFEDSA-N 0 0 352.503 5.264 20 30 FKEDRN Cc1c2c(nc(SCc3csc(-c4ccsc4)n3)c1C#N)CCC2 ZINC000028135214 568144512 /nfs/dbraw/zinc/14/45/12/568144512.db2.gz TVRFVMZBDUUDRF-UHFFFAOYSA-N 0 0 369.540 5.228 20 30 FKEDRN Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)c2cccnc12 ZINC000031096059 568323609 /nfs/dbraw/zinc/32/36/09/568323609.db2.gz DJJHCLYHMAJPDF-UHFFFAOYSA-N 0 0 363.420 5.334 20 30 FKEDRN N#Cc1ccc(CSCc2coc(-c3ccc(Cl)cc3)n2)c(F)c1 ZINC000031423951 568329165 /nfs/dbraw/zinc/32/91/65/568329165.db2.gz UWXMBLINXVIAKG-UHFFFAOYSA-N 0 0 358.825 5.439 20 30 FKEDRN Cc1cccc2sc(C(=O)N[C@H](C)c3ccc(C#N)cc3)c(Cl)c21 ZINC000031433131 568329192 /nfs/dbraw/zinc/32/91/92/568329192.db2.gz DJJFTZRLNGAPJA-GFCCVEGCSA-N 0 0 354.862 5.226 20 30 FKEDRN Cc1cccc2sc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c(Cl)c21 ZINC000031433134 568329188 /nfs/dbraw/zinc/32/91/88/568329188.db2.gz DJJFTZRLNGAPJA-LBPRGKRZSA-N 0 0 354.862 5.226 20 30 FKEDRN Cc1cc2occ(CC(=O)N[C@@H](C)c3ccc(C#N)cc3)c2cc1C(C)C ZINC000031437381 568329502 /nfs/dbraw/zinc/32/95/02/568329502.db2.gz OJYGWYPEAPUGCW-INIZCTEOSA-N 0 0 360.457 5.156 20 30 FKEDRN Cc1cc2occ(CC(=O)N[C@H](C)c3ccc(C#N)cc3)c2cc1C(C)C ZINC000031437384 568329489 /nfs/dbraw/zinc/32/94/89/568329489.db2.gz OJYGWYPEAPUGCW-MRXNPFEDSA-N 0 0 360.457 5.156 20 30 FKEDRN C[C@H](c1ccccc1)N(Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000031466969 568329988 /nfs/dbraw/zinc/32/99/88/568329988.db2.gz XAXWYYVCPXSHPL-LJQANCHMSA-N 0 0 351.453 5.193 20 30 FKEDRN C[C@@H](c1ccccc1)N(Cc1ccccc1C#N)Cc1ccccc1C#N ZINC000031466973 568330014 /nfs/dbraw/zinc/33/00/14/568330014.db2.gz XAXWYYVCPXSHPL-IBGZPJMESA-N 0 0 351.453 5.193 20 30 FKEDRN Cc1ccc(-c2nnc(COc3ccc(-c4ccc(C#N)cc4)cc3)o2)cc1 ZINC000031606728 208014123 /nfs/dbraw/zinc/01/41/23/208014123.db2.gz GXPROGRNKYCZML-UHFFFAOYSA-N 0 0 367.408 5.163 20 30 FKEDRN Cc1cc(C(F)(F)F)c(C#N)c(SCc2csc(C(C)C)n2)n1 ZINC000031652449 568337869 /nfs/dbraw/zinc/33/78/69/568337869.db2.gz OQYKNYAFBALAPT-UHFFFAOYSA-N 0 0 357.426 5.153 20 30 FKEDRN N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3Cl)c2)c1 ZINC000031777198 568339433 /nfs/dbraw/zinc/33/94/33/568339433.db2.gz 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N#CCc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000454341991 567949324 /nfs/dbraw/zinc/94/93/24/567949324.db2.gz JHWFUWQTMITZTA-LJQANCHMSA-N 0 0 353.853 5.165 20 30 FKEDRN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000454427179 567973409 /nfs/dbraw/zinc/97/34/09/567973409.db2.gz AWKFPFXWTGTHSN-BFHYXJOUSA-N 0 0 367.415 5.071 20 30 FKEDRN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000454427221 567973408 /nfs/dbraw/zinc/97/34/08/567973408.db2.gz AWKFPFXWTGTHSN-MJBXVCDLSA-N 0 0 367.415 5.071 20 30 FKEDRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000454443293 567976612 /nfs/dbraw/zinc/97/66/12/567976612.db2.gz LAZHWOWGRFTTQI-FQEVSTJZSA-N 0 0 365.452 5.304 20 30 FKEDRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000454443297 567976619 /nfs/dbraw/zinc/97/66/19/567976619.db2.gz LAZHWOWGRFTTQI-HXUWFJFHSA-N 0 0 365.452 5.304 20 30 FKEDRN CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000454445967 567973910 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/nfs/dbraw/zinc/02/95/30/568029530.db2.gz DVLIDDOZNWTODV-HOTGVXAUSA-N 0 0 353.491 5.130 20 30 FKEDRN Cc1cccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000454743978 568029612 /nfs/dbraw/zinc/02/96/12/568029612.db2.gz DVLIDDOZNWTODV-HZPDHXFCSA-N 0 0 353.491 5.130 20 30 FKEDRN Cc1cccc([C@@H](C)NC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000454743979 568029564 /nfs/dbraw/zinc/02/95/64/568029564.db2.gz DVLIDDOZNWTODV-JKSUJKDBSA-N 0 0 353.491 5.130 20 30 FKEDRN CC(C)Sc1ccc(Cl)cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454745887 568029972 /nfs/dbraw/zinc/02/99/72/568029972.db2.gz RIIMGCADPWKQKM-JSGCOSHPSA-N 0 0 351.903 5.044 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000454746388 568029939 /nfs/dbraw/zinc/02/99/39/568029939.db2.gz GRWRSQWZDGRARJ-CVEARBPZSA-N 0 0 359.539 5.228 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000454746396 568029996 /nfs/dbraw/zinc/02/99/96/568029996.db2.gz GRWRSQWZDGRARJ-HOTGVXAUSA-N 0 0 359.539 5.228 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000454746398 568030095 /nfs/dbraw/zinc/03/00/95/568030095.db2.gz GRWRSQWZDGRARJ-HZPDHXFCSA-N 0 0 359.539 5.228 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000454746400 568030101 /nfs/dbraw/zinc/03/01/01/568030101.db2.gz GRWRSQWZDGRARJ-JKSUJKDBSA-N 0 0 359.539 5.228 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@]1(C)C[C@H]1c1ccccc1 ZINC000454747201 568032106 /nfs/dbraw/zinc/03/21/06/568032106.db2.gz HKYKAAFXHQVAHW-HZUJVAHNSA-N 0 0 365.502 5.006 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@]1(C)C[C@H]1c1ccccc1 ZINC000454747207 568032310 /nfs/dbraw/zinc/03/23/10/568032310.db2.gz HKYKAAFXHQVAHW-LDBYXDLTSA-N 0 0 365.502 5.006 20 30 FKEDRN CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000454750716 568039230 /nfs/dbraw/zinc/03/92/30/568039230.db2.gz KERHHLIUNZISIN-JXFKEZNVSA-N 0 0 359.539 5.371 20 30 FKEDRN CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000454750721 568039327 /nfs/dbraw/zinc/03/93/27/568039327.db2.gz KERHHLIUNZISIN-OXJNMPFZSA-N 0 0 359.539 5.371 20 30 FKEDRN CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000454750723 568039217 /nfs/dbraw/zinc/03/92/17/568039217.db2.gz KERHHLIUNZISIN-OXQOHEQNSA-N 0 0 359.539 5.371 20 30 FKEDRN CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000454750724 568039263 /nfs/dbraw/zinc/03/92/63/568039263.db2.gz KERHHLIUNZISIN-UZLBHIALSA-N 0 0 359.539 5.371 20 30 FKEDRN Cc1ccccc1CCN(C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000454751617 568039359 /nfs/dbraw/zinc/03/93/59/568039359.db2.gz COQYFHNCHWACJZ-KRWDZBQOSA-N 0 0 367.518 5.096 20 30 FKEDRN Cc1ccccc1CCN(C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000454751676 568039438 /nfs/dbraw/zinc/03/94/38/568039438.db2.gz COQYFHNCHWACJZ-QGZVFWFLSA-N 0 0 367.518 5.096 20 30 FKEDRN Cc1ccc(CN(C)C(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C ZINC000454752286 568039362 /nfs/dbraw/zinc/03/93/62/568039362.db2.gz LNZBYSQLEBKILK-HNNXBMFYSA-N 0 0 367.518 5.219 20 30 FKEDRN Cc1ccc(CN(C)C(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C ZINC000454752289 568039577 /nfs/dbraw/zinc/03/95/77/568039577.db2.gz LNZBYSQLEBKILK-OAHLLOKOSA-N 0 0 367.518 5.219 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000454752825 568039544 /nfs/dbraw/zinc/03/95/44/568039544.db2.gz LQTZUYIOUBUULN-HNNXBMFYSA-N 0 0 363.486 5.022 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000454752827 568039576 /nfs/dbraw/zinc/03/95/76/568039576.db2.gz LQTZUYIOUBUULN-OAHLLOKOSA-N 0 0 363.486 5.022 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000454753289 568039588 /nfs/dbraw/zinc/03/95/88/568039588.db2.gz FEMPECREXYFRLQ-SZMVWBNQSA-N 0 0 365.502 5.006 20 30 FKEDRN Cc1cccc([C@H](C)NC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000454757064 568039556 /nfs/dbraw/zinc/03/95/56/568039556.db2.gz IYSVRLKMCSRMIW-CVEARBPZSA-N 0 0 353.491 5.272 20 30 FKEDRN CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000454757119 568039738 /nfs/dbraw/zinc/03/97/38/568039738.db2.gz JCQLAIUKCSGISR-JXFKEZNVSA-N 0 0 359.539 5.513 20 30 FKEDRN CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000454757121 568039748 /nfs/dbraw/zinc/03/97/48/568039748.db2.gz JCQLAIUKCSGISR-OXJNMPFZSA-N 0 0 359.539 5.513 20 30 FKEDRN CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000454757123 568039622 /nfs/dbraw/zinc/03/96/22/568039622.db2.gz JCQLAIUKCSGISR-OXQOHEQNSA-N 0 0 359.539 5.513 20 30 FKEDRN CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000454757125 568039647 /nfs/dbraw/zinc/03/96/47/568039647.db2.gz JCQLAIUKCSGISR-UZLBHIALSA-N 0 0 359.539 5.513 20 30 FKEDRN CC(C)[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H]1C(C)C ZINC000454758161 568039718 /nfs/dbraw/zinc/03/97/18/568039718.db2.gz STLGBOCEGXCXBV-GJYPPUQNSA-N 0 0 359.539 5.083 20 30 FKEDRN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000454758166 568039743 /nfs/dbraw/zinc/03/97/43/568039743.db2.gz STLGBOCEGXCXBV-GPMSIDNRSA-N 0 0 359.539 5.083 20 30 FKEDRN CC(C)[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H]1C(C)C ZINC000454758168 568039731 /nfs/dbraw/zinc/03/97/31/568039731.db2.gz STLGBOCEGXCXBV-JTDSTZFVSA-N 0 0 359.539 5.083 20 30 FKEDRN CC(C)[C@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H]1C(C)C ZINC000454758170 568039661 /nfs/dbraw/zinc/03/96/61/568039661.db2.gz STLGBOCEGXCXBV-MDZRGWNJSA-N 0 0 359.539 5.083 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000454760755 568040179 /nfs/dbraw/zinc/04/01/79/568040179.db2.gz MRVMMOQXZURMQE-CVEARBPZSA-N 0 0 359.539 5.371 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000454760757 568040165 /nfs/dbraw/zinc/04/01/65/568040165.db2.gz MRVMMOQXZURMQE-HOTGVXAUSA-N 0 0 359.539 5.371 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000454760759 568040156 /nfs/dbraw/zinc/04/01/56/568040156.db2.gz MRVMMOQXZURMQE-HZPDHXFCSA-N 0 0 359.539 5.371 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000454760762 568040178 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20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@]1(C)C[C@H]1c1ccccc1 ZINC000454771302 568035188 /nfs/dbraw/zinc/03/51/88/568035188.db2.gz VFZKBTDJWGLYJT-LDBYXDLTSA-N 0 0 365.502 5.149 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000454772158 568035541 /nfs/dbraw/zinc/03/55/41/568035541.db2.gz VPTJCTBABZYVTI-KBPBESRZSA-N 0 0 367.465 5.028 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000454772163 568035492 /nfs/dbraw/zinc/03/54/92/568035492.db2.gz VPTJCTBABZYVTI-KGLIPLIRSA-N 0 0 367.465 5.028 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCCC1(F)F ZINC000454772165 568035502 /nfs/dbraw/zinc/03/55/02/568035502.db2.gz VPTJCTBABZYVTI-UONOGXRCSA-N 0 0 367.465 5.028 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CCCCC1(F)F ZINC000454772168 568035462 /nfs/dbraw/zinc/03/54/62/568035462.db2.gz VPTJCTBABZYVTI-ZIAGYGMSSA-N 0 0 367.465 5.028 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC2(CC2)c2ccccc21 ZINC000454772281 568035446 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/nfs/dbraw/zinc/04/68/02/568046802.db2.gz NWTMDMBIZHSPHX-OALUTQOASA-N 0 0 372.415 5.112 20 30 FKEDRN C=C(C)[C@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccco1)c1ccc(F)c(F)c1 ZINC000454813117 568046858 /nfs/dbraw/zinc/04/68/58/568046858.db2.gz NWTMDMBIZHSPHX-RBUKOAKNSA-N 0 0 372.415 5.112 20 30 FKEDRN C=C(C)[C@@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccco1)c1ccc(F)c(F)c1 ZINC000454813121 568046820 /nfs/dbraw/zinc/04/68/20/568046820.db2.gz NWTMDMBIZHSPHX-RTBURBONSA-N 0 0 372.415 5.112 20 30 FKEDRN CC(C)Sc1c(Cl)cccc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000454846143 568005544 /nfs/dbraw/zinc/00/55/44/568005544.db2.gz HGUHKSYQJNZFRV-STQMWFEESA-N 0 0 351.903 5.044 20 30 FKEDRN C[C@H]1CC=C(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000454893773 568024064 /nfs/dbraw/zinc/02/40/64/568024064.db2.gz RTVROUDGVYNXRR-KRWDZBQOSA-N 0 0 360.457 5.017 20 30 FKEDRN C[C@@H]1CC=C(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000454893776 568024095 /nfs/dbraw/zinc/02/40/95/568024095.db2.gz RTVROUDGVYNXRR-QGZVFWFLSA-N 0 0 360.457 5.017 20 30 FKEDRN Cc1nc(-c2cccc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)c2)oc1C ZINC000454910207 568027917 /nfs/dbraw/zinc/02/79/17/568027917.db2.gz KVFWZMXOPMKKFI-UHFFFAOYSA-N 0 0 373.456 5.038 20 30 FKEDRN CSc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1C ZINC000455063035 568071572 /nfs/dbraw/zinc/07/15/72/568071572.db2.gz MSIUJQAIGLQFHN-GOSISDBHSA-N 0 0 353.491 5.274 20 30 FKEDRN CSc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1C ZINC000455063037 568071581 /nfs/dbraw/zinc/07/15/81/568071581.db2.gz MSIUJQAIGLQFHN-SFHVURJKSA-N 0 0 353.491 5.274 20 30 FKEDRN CCCOc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000455064572 568072287 /nfs/dbraw/zinc/07/22/87/568072287.db2.gz TWTBMSDYUFVLBT-FQEVSTJZSA-N 0 0 351.450 5.032 20 30 FKEDRN CCCOc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000455064578 568072364 /nfs/dbraw/zinc/07/23/64/568072364.db2.gz TWTBMSDYUFVLBT-HXUWFJFHSA-N 0 0 351.450 5.032 20 30 FKEDRN CSc1ccc(C)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000455067013 568073084 /nfs/dbraw/zinc/07/30/84/568073084.db2.gz DELPQMSVRRHFOW-GOSISDBHSA-N 0 0 353.491 5.274 20 30 FKEDRN CSc1ccc(C)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000455067016 568073181 /nfs/dbraw/zinc/07/31/81/568073181.db2.gz DELPQMSVRRHFOW-SFHVURJKSA-N 0 0 353.491 5.274 20 30 FKEDRN CC(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Cl ZINC000455089370 568078682 /nfs/dbraw/zinc/07/86/82/568078682.db2.gz DITNHYSILRQWSK-IBGZPJMESA-N 0 0 369.852 5.099 20 30 FKEDRN CC(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000455089372 568078656 /nfs/dbraw/zinc/07/86/56/568078656.db2.gz DITNHYSILRQWSK-LJQANCHMSA-N 0 0 369.852 5.099 20 30 FKEDRN CC(C)Oc1cc(F)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455118630 568084792 /nfs/dbraw/zinc/08/47/92/568084792.db2.gz YPCJKLMWSMQWCC-GOSISDBHSA-N 0 0 369.440 5.170 20 30 FKEDRN CC(C)Oc1cc(F)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455118631 568084757 /nfs/dbraw/zinc/08/47/57/568084757.db2.gz YPCJKLMWSMQWCC-SFHVURJKSA-N 0 0 369.440 5.170 20 30 FKEDRN C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000455122668 568085018 /nfs/dbraw/zinc/08/50/18/568085018.db2.gz YXXLAFKOGPKYHE-HTAPYJJXSA-N 0 0 361.489 5.359 20 30 FKEDRN C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000455122669 568085023 /nfs/dbraw/zinc/08/50/23/568085023.db2.gz YXXLAFKOGPKYHE-JTSKRJEESA-N 0 0 361.489 5.359 20 30 FKEDRN C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000455122670 568084986 /nfs/dbraw/zinc/08/49/86/568084986.db2.gz YXXLAFKOGPKYHE-VGOFRKELSA-N 0 0 361.489 5.359 20 30 FKEDRN C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000455122671 568085015 /nfs/dbraw/zinc/08/50/15/568085015.db2.gz YXXLAFKOGPKYHE-VGSWGCGISA-N 0 0 361.489 5.359 20 30 FKEDRN CSCc1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455134238 568088403 /nfs/dbraw/zinc/08/84/03/568088403.db2.gz IEVRAFUWCPHBHK-GOSISDBHSA-N 0 0 353.491 5.106 20 30 FKEDRN CSCc1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455134239 568088422 /nfs/dbraw/zinc/08/84/22/568088422.db2.gz IEVRAFUWCPHBHK-SFHVURJKSA-N 0 0 353.491 5.106 20 30 FKEDRN CC(C)C[C@H](C)n1nccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455141240 568090750 /nfs/dbraw/zinc/09/07/50/568090750.db2.gz KXFAYHARWZZUSY-HKUYNNGSSA-N 0 0 367.497 5.047 20 30 FKEDRN CC(C)C[C@@H](C)n1nccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455141258 568090757 /nfs/dbraw/zinc/09/07/57/568090757.db2.gz KXFAYHARWZZUSY-IEBWSBKVSA-N 0 0 367.497 5.047 20 30 FKEDRN CC(C)C[C@@H](C)n1nccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455141260 568090699 /nfs/dbraw/zinc/09/06/99/568090699.db2.gz KXFAYHARWZZUSY-MJGOQNOKSA-N 0 0 367.497 5.047 20 30 FKEDRN CC(C)C[C@H](C)n1nccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455141262 568090764 /nfs/dbraw/zinc/09/07/64/568090764.db2.gz KXFAYHARWZZUSY-PKOBYXMFSA-N 0 0 367.497 5.047 20 30 FKEDRN CSc1cccc(C)c1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455168066 568097075 /nfs/dbraw/zinc/09/70/75/568097075.db2.gz YWPNTPYDBJMGDM-KRWDZBQOSA-N 0 0 353.491 5.274 20 30 FKEDRN CSc1cccc(C)c1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455168067 568097108 /nfs/dbraw/zinc/09/71/08/568097108.db2.gz YWPNTPYDBJMGDM-QGZVFWFLSA-N 0 0 353.491 5.274 20 30 FKEDRN CC(F)(F)c1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000455218990 568101460 /nfs/dbraw/zinc/10/14/60/568101460.db2.gz FNFPWWVCHUPKMC-GOSISDBHSA-N 0 0 357.404 5.355 20 30 FKEDRN CC(F)(F)c1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000455218998 568101443 /nfs/dbraw/zinc/10/14/43/568101443.db2.gz FNFPWWVCHUPKMC-SFHVURJKSA-N 0 0 357.404 5.355 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCO[C@@H](C(C)C)C1 ZINC000455238792 568104376 /nfs/dbraw/zinc/10/43/76/568104376.db2.gz CCVRIPWBHWZXOA-FXAWDEMLSA-N 0 0 358.526 5.111 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCO[C@H](C(C)C)C1 ZINC000455238976 568104365 /nfs/dbraw/zinc/10/43/65/568104365.db2.gz CCVRIPWBHWZXOA-PXNSSMCTSA-N 0 0 358.526 5.111 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCO[C@H](C(C)C)C1 ZINC000455238978 568104382 /nfs/dbraw/zinc/10/43/82/568104382.db2.gz CCVRIPWBHWZXOA-XLIONFOSSA-N 0 0 358.526 5.111 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000455238980 568104380 /nfs/dbraw/zinc/10/43/80/568104380.db2.gz CCVRIPWBHWZXOA-YLJYHZDGSA-N 0 0 358.526 5.111 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N(C)Cc1c(F)cccc1F ZINC000455240431 568104580 /nfs/dbraw/zinc/10/45/80/568104580.db2.gz DYSBOSDZPYKGHQ-UHFFFAOYSA-N 0 0 358.432 5.481 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](CC)COCC(F)(F)F ZINC000455242137 568104800 /nfs/dbraw/zinc/10/48/00/568104800.db2.gz GXPUWOLTXYSSNC-HNNXBMFYSA-N 0 0 372.431 5.018 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](CC)COCC(F)(F)F ZINC000455242138 568104853 /nfs/dbraw/zinc/10/48/53/568104853.db2.gz GXPUWOLTXYSSNC-OAHLLOKOSA-N 0 0 372.431 5.018 20 30 FKEDRN CCCc1cccc(C(C)C)c1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000455242666 568104848 /nfs/dbraw/zinc/10/48/48/568104848.db2.gz DVVMNQHKVOBXMP-UHFFFAOYSA-N 0 0 353.441 5.095 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1Cc2ccccc2O[C@@H](C)C1 ZINC000455243612 568104902 /nfs/dbraw/zinc/10/49/02/568104902.db2.gz JBFOSJCIDHIACD-KRWDZBQOSA-N 0 0 364.489 5.354 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1Cc2ccccc2O[C@H](C)C1 ZINC000455243619 568104874 /nfs/dbraw/zinc/10/48/74/568104874.db2.gz JBFOSJCIDHIACD-QGZVFWFLSA-N 0 0 364.489 5.354 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000455244419 568105011 /nfs/dbraw/zinc/10/50/11/568105011.db2.gz KABRJYGRYNOYEZ-KSPVPNAGSA-N 0 0 350.506 5.214 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000455244420 568105019 /nfs/dbraw/zinc/10/50/19/568105019.db2.gz KABRJYGRYNOYEZ-YNQURBJZSA-N 0 0 350.506 5.214 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000455246019 568105088 /nfs/dbraw/zinc/10/50/88/568105088.db2.gz MITWCJNQJWTBJC-UHFFFAOYSA-N 0 0 354.416 5.345 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000455246164 568105164 /nfs/dbraw/zinc/10/51/64/568105164.db2.gz MTURUQQYVFHOMV-NRFANRHFSA-N 0 0 364.489 5.891 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000455246176 568105086 /nfs/dbraw/zinc/10/50/86/568105086.db2.gz MTURUQQYVFHOMV-OAQYLSRUSA-N 0 0 364.489 5.891 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000455246179 568105163 /nfs/dbraw/zinc/10/51/63/568105163.db2.gz MULNCJOCSROBNI-HBMCJLEFSA-N 0 0 370.537 5.086 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000455246187 568105138 /nfs/dbraw/zinc/10/51/38/568105138.db2.gz MULNCJOCSROBNI-NJDAHSKKSA-N 0 0 370.537 5.086 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000455246190 568105102 /nfs/dbraw/zinc/10/51/02/568105102.db2.gz MULNCJOCSROBNI-NJYVYQBISA-N 0 0 370.537 5.086 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000455246192 568105153 /nfs/dbraw/zinc/10/51/53/568105153.db2.gz MULNCJOCSROBNI-PWRODBHTSA-N 0 0 370.537 5.086 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000455247609 568105271 /nfs/dbraw/zinc/10/52/71/568105271.db2.gz OQCNFOIUQOORIG-GDBMZVCRSA-N 0 0 368.443 5.733 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000455247616 568105242 /nfs/dbraw/zinc/10/52/42/568105242.db2.gz OQCNFOIUQOORIG-GOEBONIOSA-N 0 0 368.443 5.733 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000455247619 568105238 /nfs/dbraw/zinc/10/52/38/568105238.db2.gz OQCNFOIUQOORIG-HOCLYGCPSA-N 0 0 368.443 5.733 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000455247621 568105240 /nfs/dbraw/zinc/10/52/40/568105240.db2.gz OQCNFOIUQOORIG-ZBFHGGJFSA-N 0 0 368.443 5.733 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)Nc1cnn(CCC)c1C1CC1 ZINC000455247721 568105257 /nfs/dbraw/zinc/10/52/57/568105257.db2.gz OVGRRZPWHOMOBA-UHFFFAOYSA-N 0 0 366.509 5.666 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCC(C)(C)c1ccccn1 ZINC000455248663 568104981 /nfs/dbraw/zinc/10/49/81/568104981.db2.gz PKCIQQGCJMHTIQ-UHFFFAOYSA-N 0 0 351.494 5.033 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@]2(CCSC2)C1 ZINC000455249481 568108787 /nfs/dbraw/zinc/10/87/87/568108787.db2.gz QOEKQBPFDUKWCD-NRFANRHFSA-N 0 0 358.551 5.290 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@]2(CCSC2)C1 ZINC000455249485 568108797 /nfs/dbraw/zinc/10/87/97/568108797.db2.gz QOEKQBPFDUKWCD-OAQYLSRUSA-N 0 0 358.551 5.290 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000455252423 568108846 /nfs/dbraw/zinc/10/88/46/568108846.db2.gz UPCHLWVTHPWHPZ-UHFFFAOYSA-N 0 0 368.908 5.823 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000455253308 568108837 /nfs/dbraw/zinc/10/88/37/568108837.db2.gz VTTOQDCCZLTCGB-HNNXBMFYSA-N 0 0 367.449 5.329 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC000455253411 568108850 /nfs/dbraw/zinc/10/88/50/568108850.db2.gz VZKBKWXDKCDQFW-UHFFFAOYSA-N 0 0 368.908 5.823 20 30 FKEDRN C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455278782 568107360 /nfs/dbraw/zinc/10/73/60/568107360.db2.gz XIRYFOQUDJICGZ-FGSXEWAUSA-N 0 0 361.489 5.138 20 30 FKEDRN C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455278784 568107287 /nfs/dbraw/zinc/10/72/87/568107287.db2.gz XIRYFOQUDJICGZ-SPEDKVCISA-N 0 0 361.489 5.138 20 30 FKEDRN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455283274 568107889 /nfs/dbraw/zinc/10/78/89/568107889.db2.gz NYAWLTFKISGWEV-DXIQSLLYSA-N 0 0 361.489 5.042 20 30 FKEDRN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455283275 568107886 /nfs/dbraw/zinc/10/78/86/568107886.db2.gz NYAWLTFKISGWEV-IPJJNNNSSA-N 0 0 361.489 5.042 20 30 FKEDRN Cc1ccc(Cl)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1C ZINC000455284803 568108183 /nfs/dbraw/zinc/10/81/83/568108183.db2.gz YBHWIDWCINOARD-GOSISDBHSA-N 0 0 355.869 5.514 20 30 FKEDRN Cc1ccc(Cl)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1C ZINC000455284805 568108208 /nfs/dbraw/zinc/10/82/08/568108208.db2.gz YBHWIDWCINOARD-SFHVURJKSA-N 0 0 355.869 5.514 20 30 FKEDRN N#CC[C@@H]1CC[C@H](NC(=O)Nc2cc(-c3ccccc3)ccc2Cl)C1 ZINC000455310655 568115356 /nfs/dbraw/zinc/11/53/56/568115356.db2.gz MNQDGHDITFYIJM-YOEHRIQHSA-N 0 0 353.853 5.211 20 30 FKEDRN C=CCCc1ccccc1NC(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000455376762 568118568 /nfs/dbraw/zinc/11/85/68/568118568.db2.gz DADKKNXNGCTGOG-LZWOXQAQSA-N 0 0 354.416 5.388 20 30 FKEDRN C=CCCc1ccccc1NC(=O)N1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000455376768 568118575 /nfs/dbraw/zinc/11/85/75/568118575.db2.gz DADKKNXNGCTGOG-SQWLQELKSA-N 0 0 354.416 5.388 20 30 FKEDRN C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000455385567 568118635 /nfs/dbraw/zinc/11/86/35/568118635.db2.gz PNMSCXBLSJUFMY-NRFANRHFSA-N 0 0 374.488 5.441 20 30 FKEDRN C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000455385569 568118641 /nfs/dbraw/zinc/11/86/41/568118641.db2.gz PNMSCXBLSJUFMY-OAQYLSRUSA-N 0 0 374.488 5.441 20 30 FKEDRN Cc1cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(Cl)cc1F ZINC000455420413 568122952 /nfs/dbraw/zinc/12/29/52/568122952.db2.gz KGIMKFGDPYWJTI-KRWDZBQOSA-N 0 0 359.832 5.344 20 30 FKEDRN Cc1cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(Cl)cc1F ZINC000455420415 568122988 /nfs/dbraw/zinc/12/29/88/568122988.db2.gz KGIMKFGDPYWJTI-QGZVFWFLSA-N 0 0 359.832 5.344 20 30 FKEDRN COc1cc(Cl)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1C ZINC000455423644 568121713 /nfs/dbraw/zinc/12/17/13/568121713.db2.gz AXBXAUGXNFDSSQ-KRWDZBQOSA-N 0 0 371.868 5.214 20 30 FKEDRN COc1cc(Cl)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1C ZINC000455423645 568121655 /nfs/dbraw/zinc/12/16/55/568121655.db2.gz AXBXAUGXNFDSSQ-QGZVFWFLSA-N 0 0 371.868 5.214 20 30 FKEDRN COc1cc(C)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c(C)c1C ZINC000455432552 568122797 /nfs/dbraw/zinc/12/27/97/568122797.db2.gz YPUNSZQKWLYRNC-IBGZPJMESA-N 0 0 365.477 5.177 20 30 FKEDRN COc1cc(C)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c(C)c1C ZINC000455432553 568122783 /nfs/dbraw/zinc/12/27/83/568122783.db2.gz YPUNSZQKWLYRNC-LJQANCHMSA-N 0 0 365.477 5.177 20 30 FKEDRN CCSc1cccc(F)c1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455458838 568126741 /nfs/dbraw/zinc/12/67/41/568126741.db2.gz GNPAQTJDHGXTTM-KRWDZBQOSA-N 0 0 371.481 5.494 20 30 FKEDRN CCSc1cccc(F)c1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455458845 568126720 /nfs/dbraw/zinc/12/67/20/568126720.db2.gz GNPAQTJDHGXTTM-QGZVFWFLSA-N 0 0 371.481 5.494 20 30 FKEDRN C=CCN(CC1CCCCC1)C(=O)Nc1cccc(-c2ncco2)c1C ZINC000455494126 568129206 /nfs/dbraw/zinc/12/92/06/568129206.db2.gz UEAYRACNTJLMPY-UHFFFAOYSA-N 0 0 353.466 5.250 20 30 FKEDRN CCN(CCC#N)C(=O)Nc1ccc(-c2ccc(OC(C)C)cc2)cc1F ZINC000455512293 568133450 /nfs/dbraw/zinc/13/34/50/568133450.db2.gz JPHFFZJPAFNRBM-UHFFFAOYSA-N 0 0 369.440 5.047 20 30 FKEDRN CC(C)Oc1ccc(-c2ccc(NC(=O)N(C)[C@@H](C)CC#N)c(F)c2)cc1 ZINC000455515770 568134329 /nfs/dbraw/zinc/13/43/29/568134329.db2.gz PJADOULENZFNSF-HNNXBMFYSA-N 0 0 369.440 5.046 20 30 FKEDRN CC(C)Oc1ccc(-c2ccc(NC(=O)N(C)[C@H](C)CC#N)c(F)c2)cc1 ZINC000455515771 568134277 /nfs/dbraw/zinc/13/42/77/568134277.db2.gz PJADOULENZFNSF-OAHLLOKOSA-N 0 0 369.440 5.046 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455523076 568136461 /nfs/dbraw/zinc/13/64/61/568136461.db2.gz ZQLUXWSUQUCLCC-RRQGHBQHSA-N 0 0 370.905 5.334 20 30 FKEDRN C=CC[C@H]1N(C(=O)Nc2cccc(-c3ncco3)c2C)CCCC1(C)C ZINC000455534571 568138298 /nfs/dbraw/zinc/13/82/98/568138298.db2.gz PBZNWDXPSZRKPP-GOSISDBHSA-N 0 0 353.466 5.249 20 30 FKEDRN C=CC[C@@H]1N(C(=O)Nc2cccc(-c3ncco3)c2C)CCCC1(C)C ZINC000455534587 568138282 /nfs/dbraw/zinc/13/82/82/568138282.db2.gz PBZNWDXPSZRKPP-SFHVURJKSA-N 0 0 353.466 5.249 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455583667 568142318 /nfs/dbraw/zinc/14/23/18/568142318.db2.gz FKAUDMHFJLELHA-RRQGHBQHSA-N 0 0 370.905 5.476 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455583671 568142387 /nfs/dbraw/zinc/14/23/87/568142387.db2.gz FKAUDMHFJLELHA-XOKHGSTOSA-N 0 0 370.905 5.476 20 30 FKEDRN CC(C)Oc1cccc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2Cl)c1 ZINC000455694625 568163014 /nfs/dbraw/zinc/16/30/14/568163014.db2.gz AEYZJCOEHOZILF-AWEZNQCLSA-N 0 0 371.868 5.076 20 30 FKEDRN CC(C)Oc1cccc([C@@H](C)NC(=O)Nc2ccc(CC#N)cc2Cl)c1 ZINC000455694631 568163015 /nfs/dbraw/zinc/16/30/15/568163015.db2.gz AEYZJCOEHOZILF-CQSZACIVSA-N 0 0 371.868 5.076 20 30 FKEDRN CC(C)Cn1ncc(NC(=O)Nc2ccc(CC#N)cc2Cl)c1C(C)C ZINC000455694678 568163109 /nfs/dbraw/zinc/16/31/09/568163109.db2.gz AHNYVSQICAJAPZ-UHFFFAOYSA-N 0 0 373.888 5.026 20 30 FKEDRN CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455694884 568163130 /nfs/dbraw/zinc/16/31/30/568163130.db2.gz AMBQCPIXGIONOB-IBGZPJMESA-N 0 0 355.869 5.411 20 30 FKEDRN CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455694904 568163123 /nfs/dbraw/zinc/16/31/23/568163123.db2.gz AMBQCPIXGIONOB-LJQANCHMSA-N 0 0 355.869 5.411 20 30 FKEDRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455695199 568163433 /nfs/dbraw/zinc/16/34/33/568163433.db2.gz ANTQVVKYAFFTQX-BFUOFWGJSA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455695200 568163566 /nfs/dbraw/zinc/16/35/66/568163566.db2.gz ANTQVVKYAFFTQX-DJJJIMSYSA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455695201 568163649 /nfs/dbraw/zinc/16/36/49/568163649.db2.gz ANTQVVKYAFFTQX-ORAYPTAESA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455695202 568163670 /nfs/dbraw/zinc/16/36/70/568163670.db2.gz ANTQVVKYAFFTQX-YJYMSZOUSA-N 0 0 371.843 5.160 20 30 FKEDRN N#CCc1ccc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)c(Cl)c1 ZINC000455695253 568163610 /nfs/dbraw/zinc/16/36/10/568163610.db2.gz AUQSLEPKEKWPCQ-UHFFFAOYSA-N 0 0 374.271 5.256 20 30 FKEDRN Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(CC#N)cc2Cl)c(C)c1 ZINC000455695359 568163883 /nfs/dbraw/zinc/16/38/83/568163883.db2.gz BAYQCKBANOTWSP-OAHLLOKOSA-N 0 0 355.869 5.248 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)c(Cl)c1 ZINC000455695795 568164019 /nfs/dbraw/zinc/16/40/19/568164019.db2.gz BLVZOHSUDYTIJA-FQEVSTJZSA-N 0 0 367.880 5.555 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000455695806 568164016 /nfs/dbraw/zinc/16/40/16/568164016.db2.gz BLVZOHSUDYTIJA-HXUWFJFHSA-N 0 0 367.880 5.555 20 30 FKEDRN CCCN(CCc1cccc(F)c1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455695809 568164033 /nfs/dbraw/zinc/16/40/33/568164033.db2.gz BLYAYSKQPPBNKP-UHFFFAOYSA-N 0 0 373.859 5.032 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)c(Cl)c1 ZINC000455695947 568164205 /nfs/dbraw/zinc/16/42/05/568164205.db2.gz BPNVEYORSYMGQN-GOSISDBHSA-N 0 0 367.880 5.208 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)c(Cl)c1 ZINC000455695954 568164183 /nfs/dbraw/zinc/16/41/83/568164183.db2.gz BPNVEYORSYMGQN-SFHVURJKSA-N 0 0 367.880 5.208 20 30 FKEDRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455696834 568164164 /nfs/dbraw/zinc/16/41/64/568164164.db2.gz CYTJELIVNQSMJK-IBGZPJMESA-N 0 0 355.869 5.267 20 30 FKEDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455696835 568164296 /nfs/dbraw/zinc/16/42/96/568164296.db2.gz CYTJELIVNQSMJK-LJQANCHMSA-N 0 0 355.869 5.267 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c(Cl)c1 ZINC000455697342 568164687 /nfs/dbraw/zinc/16/46/87/568164687.db2.gz DURFBNYKXDLFQQ-GOSISDBHSA-N 0 0 374.271 5.428 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)c(Cl)c1 ZINC000455697343 568164724 /nfs/dbraw/zinc/16/47/24/568164724.db2.gz DURFBNYKXDLFQQ-SFHVURJKSA-N 0 0 374.271 5.428 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC000455697797 568164683 /nfs/dbraw/zinc/16/46/83/568164683.db2.gz FIYVJPGAQCCQMS-GOSISDBHSA-N 0 0 367.880 5.035 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)c(Cl)c1 ZINC000455697798 568164692 /nfs/dbraw/zinc/16/46/92/568164692.db2.gz FIYVJPGAQCCQMS-SFHVURJKSA-N 0 0 367.880 5.035 20 30 FKEDRN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455698311 568164624 /nfs/dbraw/zinc/16/46/24/568164624.db2.gz FYQZQBBJQRLOIE-DOTOQJQBSA-N 0 0 367.880 5.124 20 30 FKEDRN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455698321 568164703 /nfs/dbraw/zinc/16/47/03/568164703.db2.gz FYQZQBBJQRLOIE-NVXWUHKLSA-N 0 0 367.880 5.124 20 30 FKEDRN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455698323 568164584 /nfs/dbraw/zinc/16/45/84/568164584.db2.gz FYQZQBBJQRLOIE-RDJZCZTQSA-N 0 0 367.880 5.124 20 30 FKEDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455698326 568164690 /nfs/dbraw/zinc/16/46/90/568164690.db2.gz FYQZQBBJQRLOIE-WBVHZDCISA-N 0 0 367.880 5.124 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCCC[C@H]2c2ccco2)c(Cl)c1 ZINC000455698805 568164672 /nfs/dbraw/zinc/16/46/72/568164672.db2.gz GODLEOLXCMMZMD-KRWDZBQOSA-N 0 0 357.841 5.148 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c(Cl)c1 ZINC000455698806 568164765 /nfs/dbraw/zinc/16/47/65/568164765.db2.gz GODLEOLXCMMZMD-QGZVFWFLSA-N 0 0 357.841 5.148 20 30 FKEDRN CC(C)CN(Cc1ccccc1F)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455699205 568164787 /nfs/dbraw/zinc/16/47/87/568164787.db2.gz GUWZUPGODRCFIV-UHFFFAOYSA-N 0 0 373.859 5.235 20 30 FKEDRN CC(C)Oc1ccc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000455699445 568165185 /nfs/dbraw/zinc/16/51/85/568165185.db2.gz HGZYLWDJAYKGRT-AWEZNQCLSA-N 0 0 371.868 5.076 20 30 FKEDRN CC(C)Oc1ccc([C@@H](C)NC(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000455699446 568165155 /nfs/dbraw/zinc/16/51/55/568165155.db2.gz HGZYLWDJAYKGRT-CQSZACIVSA-N 0 0 371.868 5.076 20 30 FKEDRN Cc1ccccc1C1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455699832 568165173 /nfs/dbraw/zinc/16/51/73/568165173.db2.gz HXRIIYHOBUEAIV-UHFFFAOYSA-N 0 0 367.880 5.126 20 30 FKEDRN Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C2)c1 ZINC000455700241 568166542 /nfs/dbraw/zinc/16/65/42/568166542.db2.gz AHKRZRNQNRSYFY-KRWDZBQOSA-N 0 0 367.880 5.044 20 30 FKEDRN Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C2)c1 ZINC000455700245 568166533 /nfs/dbraw/zinc/16/65/33/568166533.db2.gz AHKRZRNQNRSYFY-QGZVFWFLSA-N 0 0 367.880 5.044 20 30 FKEDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455700384 568139127 /nfs/dbraw/zinc/13/91/27/568139127.db2.gz IHEJWETZIFURAD-BFUOFWGJSA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455700385 568139216 /nfs/dbraw/zinc/13/92/16/568139216.db2.gz IHEJWETZIFURAD-DJJJIMSYSA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455700386 568165187 /nfs/dbraw/zinc/16/51/87/568165187.db2.gz IHEJWETZIFURAD-ORAYPTAESA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455700387 568165189 /nfs/dbraw/zinc/16/51/89/568165189.db2.gz IHEJWETZIFURAD-YJYMSZOUSA-N 0 0 371.843 5.160 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000455701595 568142274 /nfs/dbraw/zinc/14/22/74/568142274.db2.gz JWRRFLXSFJIUJL-HNNXBMFYSA-N 0 0 374.271 5.081 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c(Cl)c1 ZINC000455701597 568142268 /nfs/dbraw/zinc/14/22/68/568142268.db2.gz JWRRFLXSFJIUJL-OAHLLOKOSA-N 0 0 374.271 5.081 20 30 FKEDRN CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1c1ccccc1 ZINC000455701888 568142257 /nfs/dbraw/zinc/14/22/57/568142257.db2.gz KKFWJTSCFBABLZ-KRWDZBQOSA-N 0 0 367.880 5.064 20 30 FKEDRN CC1(C)CN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1c1ccccc1 ZINC000455701901 568142341 /nfs/dbraw/zinc/14/23/41/568142341.db2.gz KKFWJTSCFBABLZ-QGZVFWFLSA-N 0 0 367.880 5.064 20 30 FKEDRN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc(CC#N)cc2Cl)o1 ZINC000455702016 568142286 /nfs/dbraw/zinc/14/22/86/568142286.db2.gz KNCXAAJOYRHENE-GOSISDBHSA-N 0 0 371.868 5.457 20 30 FKEDRN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(CC#N)cc2Cl)o1 ZINC000455702027 568142297 /nfs/dbraw/zinc/14/22/97/568142297.db2.gz KNCXAAJOYRHENE-SFHVURJKSA-N 0 0 371.868 5.457 20 30 FKEDRN CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455702409 568142316 /nfs/dbraw/zinc/14/23/16/568142316.db2.gz 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/nfs/dbraw/zinc/14/25/40/568142540.db2.gz MTFLVHZCTOQGEI-FQEVSTJZSA-N 0 0 367.880 5.392 20 30 FKEDRN Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2Cl)c1 ZINC000455703769 568142757 /nfs/dbraw/zinc/14/27/57/568142757.db2.gz MTFLVHZCTOQGEI-HXUWFJFHSA-N 0 0 367.880 5.392 20 30 FKEDRN C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[C@H]1c1ccccc1 ZINC000455704526 568142678 /nfs/dbraw/zinc/14/26/78/568142678.db2.gz NPOULMSSRRPALP-CRAIPNDOSA-N 0 0 367.880 5.064 20 30 FKEDRN C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[C@H]1c1ccccc1 ZINC000455704529 568142748 /nfs/dbraw/zinc/14/27/48/568142748.db2.gz NPOULMSSRRPALP-MAUKXSAKSA-N 0 0 367.880 5.064 20 30 FKEDRN C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[C@@H]1c1ccccc1 ZINC000455704531 568142665 /nfs/dbraw/zinc/14/26/65/568142665.db2.gz NPOULMSSRRPALP-QAPCUYQASA-N 0 0 367.880 5.064 20 30 FKEDRN C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CC[C@@H]1c1ccccc1 ZINC000455704532 568142723 /nfs/dbraw/zinc/14/27/23/568142723.db2.gz NPOULMSSRRPALP-YJBOKZPZSA-N 0 0 367.880 5.064 20 30 FKEDRN CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455705144 568142731 /nfs/dbraw/zinc/14/27/31/568142731.db2.gz OLCILSNGBGCHHD-INIZCTEOSA-N 0 0 359.882 5.009 20 30 FKEDRN CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455705146 568142720 /nfs/dbraw/zinc/14/27/20/568142720.db2.gz OLCILSNGBGCHHD-MRXNPFEDSA-N 0 0 359.882 5.009 20 30 FKEDRN Cc1ccc(CN(C(=O)Nc2ccc(CC#N)cc2Cl)C(C)C)s1 ZINC000455705963 568143168 /nfs/dbraw/zinc/14/31/68/568143168.db2.gz PITDPQLGVPVSOX-UHFFFAOYSA-N 0 0 361.898 5.219 20 30 FKEDRN C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H]1c1cccc(F)c1 ZINC000455706422 568143130 /nfs/dbraw/zinc/14/31/30/568143130.db2.gz PZNIMPXUZWPCCX-BFUOFWGJSA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H]1c1cccc(F)c1 ZINC000455706423 568143147 /nfs/dbraw/zinc/14/31/47/568143147.db2.gz PZNIMPXUZWPCCX-DJJJIMSYSA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H]1c1cccc(F)c1 ZINC000455706424 568143236 /nfs/dbraw/zinc/14/32/36/568143236.db2.gz PZNIMPXUZWPCCX-ORAYPTAESA-N 0 0 371.843 5.160 20 30 FKEDRN C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H]1c1cccc(F)c1 ZINC000455706425 568143285 /nfs/dbraw/zinc/14/32/85/568143285.db2.gz PZNIMPXUZWPCCX-YJYMSZOUSA-N 0 0 371.843 5.160 20 30 FKEDRN CCCN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CCc2ccccc21 ZINC000455706450 568143248 /nfs/dbraw/zinc/14/32/48/568143248.db2.gz QEYYRYPEXJXNOB-FQEVSTJZSA-N 0 0 367.880 5.337 20 30 FKEDRN CCCN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CCc2ccccc21 ZINC000455706451 568143222 /nfs/dbraw/zinc/14/32/22/568143222.db2.gz QEYYRYPEXJXNOB-HXUWFJFHSA-N 0 0 367.880 5.337 20 30 FKEDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455707463 568143762 /nfs/dbraw/zinc/14/37/62/568143762.db2.gz RMYVPIVSCRPDCL-HNNXBMFYSA-N 0 0 367.880 5.239 20 30 FKEDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455707464 568143721 /nfs/dbraw/zinc/14/37/21/568143721.db2.gz RMYVPIVSCRPDCL-OAHLLOKOSA-N 0 0 367.880 5.239 20 30 FKEDRN N#CCc1ccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)c(Cl)c1 ZINC000455707526 568143924 /nfs/dbraw/zinc/14/39/24/568143924.db2.gz RWXPSVJBJYDDJX-UHFFFAOYSA-N 0 0 371.868 5.366 20 30 FKEDRN N#CCc1ccc(NC(=O)N(Cc2ccccc2)CC2CCC2)c(Cl)c1 ZINC000455707555 568143908 /nfs/dbraw/zinc/14/39/08/568143908.db2.gz SABZMPNDXXFBQO-UHFFFAOYSA-N 0 0 367.880 5.240 20 30 FKEDRN Cc1ccc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(CC#N)cc2Cl)c1 ZINC000455708294 568144728 /nfs/dbraw/zinc/14/47/28/568144728.db2.gz SURNZDXDKHRJOP-OAHLLOKOSA-N 0 0 355.869 5.248 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)c(Cl)c1 ZINC000455708312 568144743 /nfs/dbraw/zinc/14/47/43/568144743.db2.gz SWKUVBPWLQLVTP-GOSISDBHSA-N 0 0 367.880 5.035 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@H]2CCc2ccccc2)c(Cl)c1 ZINC000455708313 568144840 /nfs/dbraw/zinc/14/48/40/568144840.db2.gz SWKUVBPWLQLVTP-SFHVURJKSA-N 0 0 367.880 5.035 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)c(Cl)c1 ZINC000455708353 568144882 /nfs/dbraw/zinc/14/48/82/568144882.db2.gz TVPCHNIULMJCBH-GOSISDBHSA-N 0 0 374.271 5.428 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)c(Cl)c1 ZINC000455708354 568144932 /nfs/dbraw/zinc/14/49/32/568144932.db2.gz TVPCHNIULMJCBH-SFHVURJKSA-N 0 0 374.271 5.428 20 30 FKEDRN CC(C)CN(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455709859 568145415 /nfs/dbraw/zinc/14/54/15/568145415.db2.gz VRQZCDYTLFEJSL-UHFFFAOYSA-N 0 0 355.869 5.096 20 30 FKEDRN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2Cl)c1 ZINC000455709987 568145361 /nfs/dbraw/zinc/14/53/61/568145361.db2.gz WBJLAAPLGKNAHO-LJQANCHMSA-N 0 0 353.853 5.084 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000455710001 568139856 /nfs/dbraw/zinc/13/98/56/568139856.db2.gz WDFBHYWFQQXKKR-IBGZPJMESA-N 0 0 371.843 5.304 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000455710002 568139846 /nfs/dbraw/zinc/13/98/46/568139846.db2.gz WDFBHYWFQQXKKR-LJQANCHMSA-N 0 0 371.843 5.304 20 30 FKEDRN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2Cl)c1C ZINC000455710008 568139864 /nfs/dbraw/zinc/13/98/64/568139864.db2.gz WEDRWJOEGCRNKB-FQEVSTJZSA-N 0 0 367.880 5.392 20 30 FKEDRN Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2Cl)c1C ZINC000455710009 568139874 /nfs/dbraw/zinc/13/98/74/568139874.db2.gz WEDRWJOEGCRNKB-HXUWFJFHSA-N 0 0 367.880 5.392 20 30 FKEDRN CC[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)c1ccc(Cl)s1 ZINC000455711289 568140206 /nfs/dbraw/zinc/14/02/06/568140206.db2.gz YKOFHOVHHKAJHW-GFCCVEGCSA-N 0 0 368.289 5.394 20 30 FKEDRN CC[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)c1ccc(Cl)s1 ZINC000455711291 568140336 /nfs/dbraw/zinc/14/03/36/568140336.db2.gz YKOFHOVHHKAJHW-LBPRGKRZSA-N 0 0 368.289 5.394 20 30 FKEDRN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2Cl)cc1C ZINC000455711880 568140928 /nfs/dbraw/zinc/14/09/28/568140928.db2.gz ZIWVPBFDRRCNOC-FQEVSTJZSA-N 0 0 367.880 5.392 20 30 FKEDRN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2Cl)cc1C ZINC000455711883 568140915 /nfs/dbraw/zinc/14/09/15/568140915.db2.gz ZIWVPBFDRRCNOC-HXUWFJFHSA-N 0 0 367.880 5.392 20 30 FKEDRN CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(CC#N)cc2Cl)o1 ZINC000455712737 568141049 /nfs/dbraw/zinc/14/10/49/568141049.db2.gz BBEXQVICFCHGQP-GOSISDBHSA-N 0 0 371.868 5.321 20 30 FKEDRN CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(CC#N)cc2Cl)o1 ZINC000455712738 568141092 /nfs/dbraw/zinc/14/10/92/568141092.db2.gz BBEXQVICFCHGQP-SFHVURJKSA-N 0 0 371.868 5.321 20 30 FKEDRN CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455712765 568141142 /nfs/dbraw/zinc/14/11/42/568141142.db2.gz BHCNQHDQDFWBQV-GOSISDBHSA-N 0 0 371.868 5.030 20 30 FKEDRN CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455712768 568141175 /nfs/dbraw/zinc/14/11/75/568141175.db2.gz BHCNQHDQDFWBQV-SFHVURJKSA-N 0 0 371.868 5.030 20 30 FKEDRN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(CC#N)cc2Cl)o1 ZINC000455725919 568147421 /nfs/dbraw/zinc/14/74/21/568147421.db2.gz DOMPAFCJKOSFGK-KRWDZBQOSA-N 0 0 357.841 5.067 20 30 FKEDRN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(CC#N)cc2Cl)o1 ZINC000455725923 568147375 /nfs/dbraw/zinc/14/73/75/568147375.db2.gz DOMPAFCJKOSFGK-QGZVFWFLSA-N 0 0 357.841 5.067 20 30 FKEDRN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455726658 568147506 /nfs/dbraw/zinc/14/75/06/568147506.db2.gz FBDJMUJAVGYSIV-CRAIPNDOSA-N 0 0 367.880 5.206 20 30 FKEDRN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455726667 568147545 /nfs/dbraw/zinc/14/75/45/568147545.db2.gz FBDJMUJAVGYSIV-MAUKXSAKSA-N 0 0 367.880 5.206 20 30 FKEDRN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455726673 568147483 /nfs/dbraw/zinc/14/74/83/568147483.db2.gz FBDJMUJAVGYSIV-QAPCUYQASA-N 0 0 367.880 5.206 20 30 FKEDRN C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455726679 568147547 /nfs/dbraw/zinc/14/75/47/568147547.db2.gz FBDJMUJAVGYSIV-YJBOKZPZSA-N 0 0 367.880 5.206 20 30 FKEDRN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455727154 568147627 /nfs/dbraw/zinc/14/76/27/568147627.db2.gz FPKBVLLULQRKAB-IIDMSEBBSA-N 0 0 367.880 5.204 20 30 FKEDRN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455727158 568147681 /nfs/dbraw/zinc/14/76/81/568147681.db2.gz FPKBVLLULQRKAB-RKVPGOIHSA-N 0 0 367.880 5.204 20 30 FKEDRN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455727161 568147693 /nfs/dbraw/zinc/14/76/93/568147693.db2.gz FPKBVLLULQRKAB-RVKKMQEKSA-N 0 0 367.880 5.204 20 30 FKEDRN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455727164 568147670 /nfs/dbraw/zinc/14/76/70/568147670.db2.gz FPKBVLLULQRKAB-VKJFTORMSA-N 0 0 367.880 5.204 20 30 FKEDRN Cc1ccc([C@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C2)c(C)c1 ZINC000455729422 568147893 /nfs/dbraw/zinc/14/78/93/568147893.db2.gz JIQLXMMWTHYOJS-KRWDZBQOSA-N 0 0 367.880 5.044 20 30 FKEDRN Cc1ccc([C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)C2)c(C)c1 ZINC000455729424 568147888 /nfs/dbraw/zinc/14/78/88/568147888.db2.gz JIQLXMMWTHYOJS-QGZVFWFLSA-N 0 0 367.880 5.044 20 30 FKEDRN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc(CC#N)cc2Cl)o1 ZINC000455729967 568148102 /nfs/dbraw/zinc/14/81/02/568148102.db2.gz KCEYNJMLKRMIHS-ACJLOTCBSA-N 0 0 371.868 5.313 20 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/nfs/dbraw/zinc/15/00/21/568150021.db2.gz NRXYGAJGGUYULZ-AUUYWEPGSA-N 0 0 353.853 5.021 20 30 FKEDRN C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455733638 568150031 /nfs/dbraw/zinc/15/00/31/568150031.db2.gz NRXYGAJGGUYULZ-IFXJQAMLSA-N 0 0 353.853 5.021 20 30 FKEDRN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455733639 568149920 /nfs/dbraw/zinc/14/99/20/568149920.db2.gz NRXYGAJGGUYULZ-KUHUBIRLSA-N 0 0 353.853 5.021 20 30 FKEDRN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455733640 568149984 /nfs/dbraw/zinc/14/99/84/568149984.db2.gz NRXYGAJGGUYULZ-LIRRHRJNSA-N 0 0 353.853 5.021 20 30 FKEDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455734719 568150834 /nfs/dbraw/zinc/15/08/34/568150834.db2.gz PLXATUWPXATKJI-NRFANRHFSA-N 0 0 367.880 5.035 20 30 FKEDRN C[C@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455734722 568150814 /nfs/dbraw/zinc/15/08/14/568150814.db2.gz PLXATUWPXATKJI-OAQYLSRUSA-N 0 0 367.880 5.035 20 30 FKEDRN Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455735840 568151097 /nfs/dbraw/zinc/15/10/97/568151097.db2.gz QYEGVXGLEUYSBB-UHFFFAOYSA-N 0 0 357.841 5.188 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c(Cl)c1 ZINC000455735844 568151042 /nfs/dbraw/zinc/15/10/42/568151042.db2.gz QYMRBNZWQDGDII-HNNXBMFYSA-N 0 0 374.271 5.081 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c(Cl)c1 ZINC000455735849 568151038 /nfs/dbraw/zinc/15/10/38/568151038.db2.gz QYMRBNZWQDGDII-OAHLLOKOSA-N 0 0 374.271 5.081 20 30 FKEDRN C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](c2ccco2)C1 ZINC000455736231 568151475 /nfs/dbraw/zinc/15/14/75/568151475.db2.gz RJQXHMYQKFPAHO-CXAGYDPISA-N 0 0 357.841 5.004 20 30 FKEDRN C[C@@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](c2ccco2)C1 ZINC000455736246 568151477 /nfs/dbraw/zinc/15/14/77/568151477.db2.gz RJQXHMYQKFPAHO-DYVFJYSZSA-N 0 0 357.841 5.004 20 30 FKEDRN C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](c2ccco2)C1 ZINC000455736249 568151677 /nfs/dbraw/zinc/15/16/77/568151677.db2.gz RJQXHMYQKFPAHO-GUYCJALGSA-N 0 0 357.841 5.004 20 30 FKEDRN C[C@H]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](c2ccco2)C1 ZINC000455736251 568151635 /nfs/dbraw/zinc/15/16/35/568151635.db2.gz RJQXHMYQKFPAHO-SUMWQHHRSA-N 0 0 357.841 5.004 20 30 FKEDRN CCCCn1ncc(NC(=O)Nc2ccc(CC#N)cc2Cl)c1C(C)C ZINC000455736366 568151601 /nfs/dbraw/zinc/15/16/01/568151601.db2.gz RPDOAVDWFMYDNP-UHFFFAOYSA-N 0 0 373.888 5.170 20 30 FKEDRN CCc1c(NC(=O)Nc2ccc(CC#N)cc2Cl)cnn1C(CC)CC ZINC000455736407 568151618 /nfs/dbraw/zinc/15/16/18/568151618.db2.gz RQSAAMTVTVIORH-UHFFFAOYSA-N 0 0 373.888 5.170 20 30 FKEDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(CC#N)cc3Cl)C2)cc1 ZINC000455736425 568151669 /nfs/dbraw/zinc/15/16/69/568151669.db2.gz RTFLTAHLODCTQV-CRAIPNDOSA-N 0 0 367.880 5.124 20 30 FKEDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(CC#N)cc3Cl)C2)cc1 ZINC000455736428 568151608 /nfs/dbraw/zinc/15/16/08/568151608.db2.gz RTFLTAHLODCTQV-MAUKXSAKSA-N 0 0 367.880 5.124 20 30 FKEDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(CC#N)cc3Cl)C2)cc1 ZINC000455736435 568151655 /nfs/dbraw/zinc/15/16/55/568151655.db2.gz RTFLTAHLODCTQV-QAPCUYQASA-N 0 0 367.880 5.124 20 30 FKEDRN Cc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(CC#N)cc3Cl)C2)cc1 ZINC000455736439 568151804 /nfs/dbraw/zinc/15/18/04/568151804.db2.gz RTFLTAHLODCTQV-YJBOKZPZSA-N 0 0 367.880 5.124 20 30 FKEDRN CC(C)c1cccc2c1CCN(C(=O)Nc1ccc(CC#N)cc1Cl)C2 ZINC000455738337 568158417 /nfs/dbraw/zinc/15/84/17/568158417.db2.gz VFSZRLMPRNEZSV-UHFFFAOYSA-N 0 0 367.880 5.120 20 30 FKEDRN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455739087 568158680 /nfs/dbraw/zinc/15/86/80/568158680.db2.gz WIQJKKUYRCJCHA-IBGZPJMESA-N 0 0 371.868 5.030 20 30 FKEDRN CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455739090 568158667 /nfs/dbraw/zinc/15/86/67/568158667.db2.gz WIQJKKUYRCJCHA-LJQANCHMSA-N 0 0 371.868 5.030 20 30 FKEDRN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455739480 568158648 /nfs/dbraw/zinc/15/86/48/568158648.db2.gz WZBKVICUDTWMIH-FOIQADDNSA-N 0 0 367.880 5.411 20 30 FKEDRN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455739482 568158767 /nfs/dbraw/zinc/15/87/67/568158767.db2.gz WZBKVICUDTWMIH-MGPUTAFESA-N 0 0 367.880 5.411 20 30 FKEDRN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455739485 568158747 /nfs/dbraw/zinc/15/87/47/568158747.db2.gz WZBKVICUDTWMIH-QRWLVFNGSA-N 0 0 367.880 5.411 20 30 FKEDRN C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455739487 568158776 /nfs/dbraw/zinc/15/87/76/568158776.db2.gz WZBKVICUDTWMIH-YWZLYKJASA-N 0 0 367.880 5.411 20 30 FKEDRN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455739519 568158775 /nfs/dbraw/zinc/15/87/75/568158775.db2.gz XDDWOCCXAWLGHM-IBGZPJMESA-N 0 0 371.843 5.223 20 30 FKEDRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455739520 568158794 /nfs/dbraw/zinc/15/87/94/568158794.db2.gz XDDWOCCXAWLGHM-LJQANCHMSA-N 0 0 371.843 5.223 20 30 FKEDRN C[C@@H](c1ccccc1)N(C(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000455740295 568158925 /nfs/dbraw/zinc/15/89/25/568158925.db2.gz YCEIKEOJSDUJMB-AWEZNQCLSA-N 0 0 353.853 5.164 20 30 FKEDRN C[C@H](c1ccccc1)N(C(=O)Nc1ccc(CC#N)cc1Cl)C1CC1 ZINC000455740296 568158868 /nfs/dbraw/zinc/15/88/68/568158868.db2.gz YCEIKEOJSDUJMB-CQSZACIVSA-N 0 0 353.853 5.164 20 30 FKEDRN N#CCc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)c(Cl)c1 ZINC000455740763 568159421 /nfs/dbraw/zinc/15/94/21/568159421.db2.gz YLXHOCSAAZMOCD-JSGCOSHPSA-N 0 0 373.806 5.039 20 30 FKEDRN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455741613 568159671 /nfs/dbraw/zinc/15/96/71/568159671.db2.gz ZWJNBDXSOYCKEH-IBGZPJMESA-N 0 0 373.859 5.406 20 30 FKEDRN CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455741616 568159703 /nfs/dbraw/zinc/15/97/03/568159703.db2.gz ZWJNBDXSOYCKEH-LJQANCHMSA-N 0 0 373.859 5.406 20 30 FKEDRN CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455749055 568153740 /nfs/dbraw/zinc/15/37/40/568153740.db2.gz JPTNWSOJLFVQDJ-UHFFFAOYSA-N 0 0 368.289 5.175 20 30 FKEDRN CC(C)c1ccc(CN(C)C(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000455755956 568167704 /nfs/dbraw/zinc/16/77/04/568167704.db2.gz SEZAHYJEZVZORM-UHFFFAOYSA-N 0 0 355.869 5.193 20 30 FKEDRN CCOc1ccc(Cl)c(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000455756144 568167781 /nfs/dbraw/zinc/16/77/81/568167781.db2.gz NKEPZDHOJWKWJM-GOSISDBHSA-N 0 0 371.868 5.295 20 30 FKEDRN CCOc1ccc(Cl)c(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000455756147 568167772 /nfs/dbraw/zinc/16/77/72/568167772.db2.gz NKEPZDHOJWKWJM-SFHVURJKSA-N 0 0 371.868 5.295 20 30 FKEDRN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000455757430 568167832 /nfs/dbraw/zinc/16/78/32/568167832.db2.gz UBRVTKUSURTVEU-IBGZPJMESA-N 0 0 353.853 5.084 20 30 FKEDRN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2Cl)cc1 ZINC000455757435 568167827 /nfs/dbraw/zinc/16/78/27/568167827.db2.gz UBRVTKUSURTVEU-LJQANCHMSA-N 0 0 353.853 5.084 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000455761519 568169364 /nfs/dbraw/zinc/16/93/64/568169364.db2.gz ZUSNPSJTMHRHCE-GOSISDBHSA-N 0 0 374.271 5.428 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000455761522 568169407 /nfs/dbraw/zinc/16/94/07/568169407.db2.gz ZUSNPSJTMHRHCE-SFHVURJKSA-N 0 0 374.271 5.428 20 30 FKEDRN CC(F)(F)c1ccccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000455763882 568171668 /nfs/dbraw/zinc/17/16/68/568171668.db2.gz BQTBIJJHBMKAOY-APWZRJJASA-N 0 0 369.415 5.102 20 30 FKEDRN CC(F)(F)c1ccccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000455763883 568171636 /nfs/dbraw/zinc/17/16/36/568171636.db2.gz BQTBIJJHBMKAOY-LPHOPBHVSA-N 0 0 369.415 5.102 20 30 FKEDRN CC(F)(F)c1ccccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000455763884 568171715 /nfs/dbraw/zinc/17/17/15/568171715.db2.gz BQTBIJJHBMKAOY-QFBILLFUSA-N 0 0 369.415 5.102 20 30 FKEDRN CC(F)(F)c1ccccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000455763885 568171666 /nfs/dbraw/zinc/17/16/66/568171666.db2.gz BQTBIJJHBMKAOY-VQIMIIECSA-N 0 0 369.415 5.102 20 30 FKEDRN CCOc1ccc(Cl)c(NC(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000455764544 568172302 /nfs/dbraw/zinc/17/23/02/568172302.db2.gz DWTTVFZZUDBNJF-UHFFFAOYSA-N 0 0 373.840 5.065 20 30 FKEDRN CC(C)Oc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000455778122 568166300 /nfs/dbraw/zinc/16/63/00/568166300.db2.gz HBMFILWXWYYPLB-FQEVSTJZSA-N 0 0 351.450 5.030 20 30 FKEDRN CC(C)Oc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000455778124 568166287 /nfs/dbraw/zinc/16/62/87/568166287.db2.gz HBMFILWXWYYPLB-HXUWFJFHSA-N 0 0 351.450 5.030 20 30 FKEDRN CC(C)C(=O)c1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000455783912 568174001 /nfs/dbraw/zinc/17/40/01/568174001.db2.gz AJVPRSFXDWWDJO-FQEVSTJZSA-N 0 0 363.461 5.082 20 30 FKEDRN CC(C)C(=O)c1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000455783914 568174045 /nfs/dbraw/zinc/17/40/45/568174045.db2.gz AJVPRSFXDWWDJO-HXUWFJFHSA-N 0 0 363.461 5.082 20 30 FKEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(C)(F)F ZINC000455785614 568174243 /nfs/dbraw/zinc/17/42/43/568174243.db2.gz DRDYEVABVRYGKI-UHFFFAOYSA-N 0 0 357.404 5.112 20 30 FKEDRN CC(F)(F)c1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000455792013 568175682 /nfs/dbraw/zinc/17/56/82/568175682.db2.gz PLTSGAKLCPOUAS-KRWDZBQOSA-N 0 0 357.404 5.355 20 30 FKEDRN CC(F)(F)c1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000455792015 568175677 /nfs/dbraw/zinc/17/56/77/568175677.db2.gz PLTSGAKLCPOUAS-QGZVFWFLSA-N 0 0 357.404 5.355 20 30 FKEDRN CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1C#N ZINC000455792414 568175865 /nfs/dbraw/zinc/17/58/65/568175865.db2.gz KIACQDXAOOMQNX-INIZCTEOSA-N 0 0 369.490 5.166 20 30 FKEDRN CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1C#N ZINC000455792415 568175848 /nfs/dbraw/zinc/17/58/48/568175848.db2.gz KIACQDXAOOMQNX-MRXNPFEDSA-N 0 0 369.490 5.166 20 30 FKEDRN CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1C#N ZINC000455796216 568176678 /nfs/dbraw/zinc/17/66/78/568176678.db2.gz PJSSRLJGOCJGKF-KRWDZBQOSA-N 0 0 369.490 5.166 20 30 FKEDRN CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1C#N ZINC000455796220 568176668 /nfs/dbraw/zinc/17/66/68/568176668.db2.gz PJSSRLJGOCJGKF-QGZVFWFLSA-N 0 0 369.490 5.166 20 30 FKEDRN C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455799975 568177451 /nfs/dbraw/zinc/17/74/51/568177451.db2.gz RCQZFVLYEAXSGU-CYBMUJFWSA-N 0 0 357.479 5.022 20 30 FKEDRN C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455799991 568177430 /nfs/dbraw/zinc/17/74/30/568177430.db2.gz RCQZFVLYEAXSGU-ZDUSSCGKSA-N 0 0 357.479 5.022 20 30 FKEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1C(C)(F)F ZINC000455803289 568177874 /nfs/dbraw/zinc/17/78/74/568177874.db2.gz IPRMTTOUDUMCIC-UHFFFAOYSA-N 0 0 360.404 5.027 20 30 FKEDRN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)o1 ZINC000455807883 568180422 /nfs/dbraw/zinc/18/04/22/568180422.db2.gz ZQDGDMYUTNOMHO-KRWDZBQOSA-N 0 0 367.449 5.006 20 30 FKEDRN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)o1 ZINC000455807891 568180443 /nfs/dbraw/zinc/18/04/43/568180443.db2.gz ZQDGDMYUTNOMHO-QGZVFWFLSA-N 0 0 367.449 5.006 20 30 FKEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(C)(F)F ZINC000455811003 568178038 /nfs/dbraw/zinc/17/80/38/568178038.db2.gz QPVMCKFVMRJNFF-UHFFFAOYSA-N 0 0 357.404 5.114 20 30 FKEDRN CC(F)(F)c1ccccc1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000455811357 568178047 /nfs/dbraw/zinc/17/80/47/568178047.db2.gz RIAHPIHEBKLLPP-UHFFFAOYSA-N 0 0 359.376 5.125 20 30 FKEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(C)(F)F ZINC000455812582 568178257 /nfs/dbraw/zinc/17/82/57/568178257.db2.gz SXLSMWHCKHOAHV-UHFFFAOYSA-N 0 0 371.431 5.360 20 30 FKEDRN CCSCc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000455852744 568183356 /nfs/dbraw/zinc/18/33/56/568183356.db2.gz FCQMMITYYGOJMW-UHFFFAOYSA-N 0 0 365.502 5.008 20 30 FKEDRN CCSCc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000455869142 568184908 /nfs/dbraw/zinc/18/49/08/568184908.db2.gz WFSRUYCSTUKKSS-IBGZPJMESA-N 0 0 353.491 5.106 20 30 FKEDRN CCSCc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000455869144 568184871 /nfs/dbraw/zinc/18/48/71/568184871.db2.gz WFSRUYCSTUKKSS-LJQANCHMSA-N 0 0 353.491 5.106 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1scnc1C(C)C ZINC000455872378 568185085 /nfs/dbraw/zinc/18/50/85/568185085.db2.gz WITQJFDYHRINGN-UHFFFAOYSA-N 0 0 355.916 5.202 20 30 FKEDRN CCSCc1ccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000455888553 568186978 /nfs/dbraw/zinc/18/69/78/568186978.db2.gz GNOGHEKTCIZYMI-FQEVSTJZSA-N 0 0 367.518 5.496 20 30 FKEDRN CCSCc1ccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000455888555 568187022 /nfs/dbraw/zinc/18/70/22/568187022.db2.gz GNOGHEKTCIZYMI-HXUWFJFHSA-N 0 0 367.518 5.496 20 30 FKEDRN CCC(C)(C)OCc1ccccc1NC(=O)Nc1cccc(CC#N)c1 ZINC000455901898 568190538 /nfs/dbraw/zinc/19/05/38/568190538.db2.gz FRLRTFMLFPHTAW-UHFFFAOYSA-N 0 0 351.450 5.102 20 30 FKEDRN CC(C)(c1ccc(NC(=O)Nc2cccc(CC#N)c2)cc1)C(F)(F)F ZINC000455903587 568190635 /nfs/dbraw/zinc/19/06/35/568190635.db2.gz JAMTVFBQFDNMQD-UHFFFAOYSA-N 0 0 361.367 5.237 20 30 FKEDRN N#CCc1cccc(NC(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000455904973 568190876 /nfs/dbraw/zinc/19/08/76/568190876.db2.gz KUJIUDDSMOKRNH-IBGZPJMESA-N 0 0 353.853 5.165 20 30 FKEDRN N#CCc1cccc(NC(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000455904974 568190877 /nfs/dbraw/zinc/19/08/77/568190877.db2.gz KUJIUDDSMOKRNH-LJQANCHMSA-N 0 0 353.853 5.165 20 30 FKEDRN CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(CC#N)c2)o1 ZINC000455909300 568191065 /nfs/dbraw/zinc/19/10/65/568191065.db2.gz AXIKKJWRQJVDJR-IBGZPJMESA-N 0 0 351.450 5.057 20 30 FKEDRN CCc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(CC#N)c2)o1 ZINC000455909301 568191084 /nfs/dbraw/zinc/19/10/84/568191084.db2.gz AXIKKJWRQJVDJR-LJQANCHMSA-N 0 0 351.450 5.057 20 30 FKEDRN N#CCc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000455909324 568191118 /nfs/dbraw/zinc/19/11/18/568191118.db2.gz AZSVSIAVWSCVGL-GOSISDBHSA-N 0 0 374.271 5.428 20 30 FKEDRN N#CCc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000455909326 568191085 /nfs/dbraw/zinc/19/10/85/568191085.db2.gz AZSVSIAVWSCVGL-SFHVURJKSA-N 0 0 374.271 5.428 20 30 FKEDRN N#CCc1cccc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000455910895 568191241 /nfs/dbraw/zinc/19/12/41/568191241.db2.gz UPFQSYMGPPHZJM-GOSISDBHSA-N 0 0 373.378 5.044 20 30 FKEDRN N#CCc1cccc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000455910896 568191197 /nfs/dbraw/zinc/19/11/97/568191197.db2.gz UPFQSYMGPPHZJM-SFHVURJKSA-N 0 0 373.378 5.044 20 30 FKEDRN CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(CC#N)c1 ZINC000455911139 568191211 /nfs/dbraw/zinc/19/12/11/568191211.db2.gz DRMDNVAEHABKNF-IBGZPJMESA-N 0 0 355.869 5.267 20 30 FKEDRN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(CC#N)c1 ZINC000455911141 568191234 /nfs/dbraw/zinc/19/12/34/568191234.db2.gz DRMDNVAEHABKNF-LJQANCHMSA-N 0 0 355.869 5.267 20 30 FKEDRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000455911271 568191226 /nfs/dbraw/zinc/19/12/26/568191226.db2.gz VSPADWDBJWOQKG-GFCCVEGCSA-N 0 0 374.271 5.211 20 30 FKEDRN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000455911273 568191248 /nfs/dbraw/zinc/19/12/48/568191248.db2.gz VSPADWDBJWOQKG-LBPRGKRZSA-N 0 0 374.271 5.211 20 30 FKEDRN N#CCc1cccc(NC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000455911308 568191199 /nfs/dbraw/zinc/19/11/99/568191199.db2.gz WCOYQRZDISEWKJ-IBGZPJMESA-N 0 0 353.853 5.165 20 30 FKEDRN N#CCc1cccc(NC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000455911309 568191194 /nfs/dbraw/zinc/19/11/94/568191194.db2.gz WCOYQRZDISEWKJ-LJQANCHMSA-N 0 0 353.853 5.165 20 30 FKEDRN CCCN(C(=O)Nc1cccc(CC#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000455914361 568191294 /nfs/dbraw/zinc/19/12/94/568191294.db2.gz GJSNZWIKFAJCEK-INIZCTEOSA-N 0 0 361.445 5.504 20 30 FKEDRN CCCN(C(=O)Nc1cccc(CC#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000455914369 568191281 /nfs/dbraw/zinc/19/12/81/568191281.db2.gz GJSNZWIKFAJCEK-MRXNPFEDSA-N 0 0 361.445 5.504 20 30 FKEDRN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000455914626 568191286 /nfs/dbraw/zinc/19/12/86/568191286.db2.gz GWWVQNOJTMSPAC-GFCCVEGCSA-N 0 0 374.271 5.211 20 30 FKEDRN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000455914627 568191299 /nfs/dbraw/zinc/19/12/99/568191299.db2.gz GWWVQNOJTMSPAC-LBPRGKRZSA-N 0 0 374.271 5.211 20 30 FKEDRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915543 568191304 /nfs/dbraw/zinc/19/13/04/568191304.db2.gz HWECYPPSNIJPLD-CABCVRRESA-N 0 0 355.869 5.062 20 30 FKEDRN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915553 568191301 /nfs/dbraw/zinc/19/13/01/568191301.db2.gz HWECYPPSNIJPLD-GJZGRUSLSA-N 0 0 355.869 5.062 20 30 FKEDRN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915554 568191297 /nfs/dbraw/zinc/19/12/97/568191297.db2.gz HWECYPPSNIJPLD-HUUCEWRRSA-N 0 0 355.869 5.062 20 30 FKEDRN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)Nc1cccc(CC#N)c1 ZINC000455915556 568191302 /nfs/dbraw/zinc/19/13/02/568191302.db2.gz HWECYPPSNIJPLD-LSDHHAIUSA-N 0 0 355.869 5.062 20 30 FKEDRN Cc1c(CSC(C)C)cccc1NC(=O)Nc1cccc(CC#N)c1 ZINC000455917144 568191264 /nfs/dbraw/zinc/19/12/64/568191264.db2.gz JOULSVLTDCUADQ-UHFFFAOYSA-N 0 0 353.491 5.347 20 30 FKEDRN CC(C)Sc1ccc([C@H](C)NC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455917874 568191351 /nfs/dbraw/zinc/19/13/51/568191351.db2.gz KBEBMOSKYHTJOV-HNNXBMFYSA-N 0 0 353.491 5.136 20 30 FKEDRN CC(C)Sc1ccc([C@@H](C)NC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000455917875 568191341 /nfs/dbraw/zinc/19/13/41/568191341.db2.gz KBEBMOSKYHTJOV-OAHLLOKOSA-N 0 0 353.491 5.136 20 30 FKEDRN N#CCc1cccc(NC(=O)N2CCC(c3cccc4ccccc43)CC2)c1 ZINC000455921524 568191548 /nfs/dbraw/zinc/19/15/48/568191548.db2.gz PKCWTHMKXICAFY-UHFFFAOYSA-N 0 0 369.468 5.317 20 30 FKEDRN N#CCc1cccc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000455921992 568191496 /nfs/dbraw/zinc/19/14/96/568191496.db2.gz QFZOSEKPVFIANF-UHFFFAOYSA-N 0 0 374.271 5.256 20 30 FKEDRN N#CCc1cccc(NC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c1 ZINC000455922385 568191553 /nfs/dbraw/zinc/19/15/53/568191553.db2.gz QMDMPMOZOCEYEQ-UHFFFAOYSA-N 0 0 369.415 5.008 20 30 FKEDRN C[C@@H](c1ccccc1Cl)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 ZINC000455923351 568191635 /nfs/dbraw/zinc/19/16/35/568191635.db2.gz SPNJIFKWFYYORH-AWEZNQCLSA-N 0 0 353.853 5.164 20 30 FKEDRN C[C@H](c1ccccc1Cl)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 ZINC000455923352 568191640 /nfs/dbraw/zinc/19/16/40/568191640.db2.gz SPNJIFKWFYYORH-CQSZACIVSA-N 0 0 353.853 5.164 20 30 FKEDRN N#CCc1cccc(NC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000455923374 568191641 /nfs/dbraw/zinc/19/16/41/568191641.db2.gz SRYRKFFHTMZPLH-UHFFFAOYSA-N 0 0 369.415 5.008 20 30 FKEDRN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000455923466 568191644 /nfs/dbraw/zinc/19/16/44/568191644.db2.gz TXWIVNAZPCAACX-GFCCVEGCSA-N 0 0 374.271 5.211 20 30 FKEDRN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000455923467 568191681 /nfs/dbraw/zinc/19/16/81/568191681.db2.gz TXWIVNAZPCAACX-LBPRGKRZSA-N 0 0 374.271 5.211 20 30 FKEDRN N#CCc1cccc(NC(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000455923668 568191690 /nfs/dbraw/zinc/19/16/90/568191690.db2.gz UHZJWTNLOQNFPL-UHFFFAOYSA-N 0 0 369.415 5.008 20 30 FKEDRN C[C@@H](c1ccc(Cl)cc1)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 ZINC000455923801 568191712 /nfs/dbraw/zinc/19/17/12/568191712.db2.gz UWQAYWSJORZJBZ-AWEZNQCLSA-N 0 0 353.853 5.164 20 30 FKEDRN C[C@H](c1ccc(Cl)cc1)N(C(=O)Nc1cccc(CC#N)c1)C1CC1 ZINC000455923803 568191723 /nfs/dbraw/zinc/19/17/23/568191723.db2.gz UWQAYWSJORZJBZ-CQSZACIVSA-N 0 0 353.853 5.164 20 30 FKEDRN Cc1c(COC(C)(C)C)cccc1NC(=O)Nc1cccc(CC#N)c1 ZINC000455924268 568191704 /nfs/dbraw/zinc/19/17/04/568191704.db2.gz VKGHBEFYRVGLQA-UHFFFAOYSA-N 0 0 351.450 5.020 20 30 FKEDRN CCC(C)(C)OCc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1C ZINC000455926695 568191814 /nfs/dbraw/zinc/19/18/14/568191814.db2.gz YUIMICFDMONDEF-UHFFFAOYSA-N 0 0 365.477 5.410 20 30 FKEDRN Cc1coc(-c2cc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)ccc2C)n1 ZINC000455960956 568192219 /nfs/dbraw/zinc/19/22/19/568192219.db2.gz XQMBLRSUAXMKQH-UHFFFAOYSA-N 0 0 373.456 5.038 20 30 FKEDRN C[C@@H](c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1)C(F)(F)F ZINC000455983627 568196496 /nfs/dbraw/zinc/19/64/96/568196496.db2.gz BCZMGXGECXSAFF-KBXCAEBGSA-N 0 0 360.379 5.127 20 30 FKEDRN C[C@H](c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1)C(F)(F)F ZINC000455983628 568196475 /nfs/dbraw/zinc/19/64/75/568196475.db2.gz BCZMGXGECXSAFF-KDOFPFPSSA-N 0 0 360.379 5.127 20 30 FKEDRN C[C@@H](c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1)C(F)(F)F ZINC000455983629 568196497 /nfs/dbraw/zinc/19/64/97/568196497.db2.gz BCZMGXGECXSAFF-KSSFIOAISA-N 0 0 360.379 5.127 20 30 FKEDRN C[C@H](c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1)C(F)(F)F ZINC000455983630 568196564 /nfs/dbraw/zinc/19/65/64/568196564.db2.gz BCZMGXGECXSAFF-RDTXWAMCSA-N 0 0 360.379 5.127 20 30 FKEDRN CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000455995855 568195537 /nfs/dbraw/zinc/19/55/37/568195537.db2.gz TZNRJDTYCOYLAI-UHFFFAOYSA-N 0 0 362.807 5.357 20 30 FKEDRN Cc1ccccc1-c1ccc(Cl)c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000456002084 568198102 /nfs/dbraw/zinc/19/81/02/568198102.db2.gz VUUAYRXHLRWYAY-UHFFFAOYSA-N 0 0 352.865 5.081 20 30 FKEDRN CC(C)(Cc1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000456051017 568203012 /nfs/dbraw/zinc/20/30/12/568203012.db2.gz DJEGIJVWIMNPKB-NUNAXRQHSA-N 0 0 372.512 5.064 20 30 FKEDRN Cc1ccccc1-c1ccc(Cl)c(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000456052144 568203163 /nfs/dbraw/zinc/20/31/63/568203163.db2.gz RGSHYABAEXHQHV-RDJZCZTQSA-N 0 0 352.865 5.128 20 30 FKEDRN C[C@H](c1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1)C(F)(F)F ZINC000456058507 568205121 /nfs/dbraw/zinc/20/51/21/568205121.db2.gz HRLUMGDKMMTEPE-BEFAXECRSA-N 0 0 374.406 5.517 20 30 FKEDRN C[C@H](c1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1)C(F)(F)F ZINC000456058508 568205092 /nfs/dbraw/zinc/20/50/92/568205092.db2.gz HRLUMGDKMMTEPE-DNVCBOLYSA-N 0 0 374.406 5.517 20 30 FKEDRN C[C@@H](c1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)cc1)C(F)(F)F ZINC000456058509 568205111 /nfs/dbraw/zinc/20/51/11/568205111.db2.gz HRLUMGDKMMTEPE-HNAYVOBHSA-N 0 0 374.406 5.517 20 30 FKEDRN C[C@@H](c1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1)C(F)(F)F ZINC000456058510 568205077 /nfs/dbraw/zinc/20/50/77/568205077.db2.gz HRLUMGDKMMTEPE-KXBFYZLASA-N 0 0 374.406 5.517 20 30 FKEDRN Cc1ccccc1-c1ccc(Cl)c(C(=O)NCC(C)(C)CCC#N)c1 ZINC000456058598 568205136 /nfs/dbraw/zinc/20/51/36/568205136.db2.gz XAQKSYURSISLNE-UHFFFAOYSA-N 0 0 354.881 5.375 20 30 FKEDRN N#CC[C@@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2Sc2ccccc2)C1 ZINC000456060562 568205564 /nfs/dbraw/zinc/20/55/64/568205564.db2.gz TYKMPDAVLURHEF-HOCLYGCPSA-N 0 0 370.905 5.303 20 30 FKEDRN Cc1ccccc1-c1ccc(Cl)c(C(=O)NCC2CCC(C#N)CC2)c1 ZINC000456072501 568209294 /nfs/dbraw/zinc/20/92/94/568209294.db2.gz TURCRUJFXDDSNC-UHFFFAOYSA-N 0 0 366.892 5.375 20 30 FKEDRN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC000456097432 568211017 /nfs/dbraw/zinc/21/10/17/568211017.db2.gz XUBDYROVFLTGME-GDBMZVCRSA-N 0 0 372.390 5.028 20 30 FKEDRN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC000456097434 568211024 /nfs/dbraw/zinc/21/10/24/568211024.db2.gz XUBDYROVFLTGME-HOCLYGCPSA-N 0 0 372.390 5.028 20 30 FKEDRN C=CCC1(CNC(=O)c2ccccc2SCc2cscn2)CCCC1 ZINC000456489911 568287417 /nfs/dbraw/zinc/28/74/17/568287417.db2.gz WAJWIZFTYDETSW-UHFFFAOYSA-N 0 0 372.559 5.302 20 30 FKEDRN N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC000456789331 568312532 /nfs/dbraw/zinc/31/25/32/568312532.db2.gz FEEZMOAHSSXVKH-CYBMUJFWSA-N 0 0 358.413 5.083 20 30 FKEDRN N#CCSc1cccc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000457284719 568349750 /nfs/dbraw/zinc/34/97/50/568349750.db2.gz QOKDQKDJKDMJDO-FQEVSTJZSA-N 0 0 362.498 5.060 20 30 FKEDRN N#CCSc1cccc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000457284720 568349784 /nfs/dbraw/zinc/34/97/84/568349784.db2.gz QOKDQKDJKDMJDO-HXUWFJFHSA-N 0 0 362.498 5.060 20 30 FKEDRN N#CC[C@H](CC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000457285496 568349800 /nfs/dbraw/zinc/34/98/00/568349800.db2.gz RCWRRODWLCZIDD-FYYLOGMGSA-N 0 0 358.485 5.218 20 30 FKEDRN N#CC[C@H](CC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000457285497 568349807 /nfs/dbraw/zinc/34/98/07/568349807.db2.gz RCWRRODWLCZIDD-GGAORHGYSA-N 0 0 358.485 5.218 20 30 FKEDRN N#CC[C@@H](CC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000457285498 568349815 /nfs/dbraw/zinc/34/98/15/568349815.db2.gz RCWRRODWLCZIDD-GMAHTHKFSA-N 0 0 358.485 5.218 20 30 FKEDRN N#CC[C@@H](CC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000457285499 568349824 /nfs/dbraw/zinc/34/98/24/568349824.db2.gz RCWRRODWLCZIDD-JTHBVZDNSA-N 0 0 358.485 5.218 20 30 FKEDRN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457355250 568386695 /nfs/dbraw/zinc/38/66/95/568386695.db2.gz HGTANJAANIPSFH-GOSISDBHSA-N 0 0 357.885 5.038 20 30 FKEDRN C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457355251 568386702 /nfs/dbraw/zinc/38/67/02/568386702.db2.gz HGTANJAANIPSFH-SFHVURJKSA-N 0 0 357.885 5.038 20 30 FKEDRN CC(C)Oc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(Cl)c1 ZINC000457425232 568393897 /nfs/dbraw/zinc/39/38/97/568393897.db2.gz PYLDZHFEFVQQGH-UHFFFAOYSA-N 0 0 356.853 5.181 20 30 FKEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C1CC(C(C)(C)C)C1 ZINC000457450309 568392566 /nfs/dbraw/zinc/39/25/66/568392566.db2.gz QHFDWXNDQFQLOJ-UHFFFAOYSA-N 0 0 363.461 5.065 20 30 FKEDRN CC[C@@H](CC(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000457466984 568392917 /nfs/dbraw/zinc/39/29/17/568392917.db2.gz BYDXATMMXCJXMT-HNNXBMFYSA-N 0 0 358.388 5.279 20 30 FKEDRN CC[C@H](CC(F)F)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000457466986 568392937 /nfs/dbraw/zinc/39/29/37/568392937.db2.gz BYDXATMMXCJXMT-OAHLLOKOSA-N 0 0 358.388 5.279 20 30 FKEDRN CC(C)Oc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c(Cl)c1 ZINC000457476687 568393352 /nfs/dbraw/zinc/39/33/52/568393352.db2.gz WFBMOBKTQWFNNG-UHFFFAOYSA-N 0 0 372.852 5.038 20 30 FKEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)CC(F)(F)F ZINC000457480719 568393492 /nfs/dbraw/zinc/39/34/92/568393492.db2.gz PWCWMFFBCONWMW-ZDUSSCGKSA-N 0 0 362.351 5.186 20 30 FKEDRN CC(C)Oc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c(Cl)c1 ZINC000457490595 568392894 /nfs/dbraw/zinc/39/28/94/568392894.db2.gz UNTRWOAFVYVKLY-UHFFFAOYSA-N 0 0 372.852 5.062 20 30 FKEDRN CC[C@@H](CC(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000457504968 568394539 /nfs/dbraw/zinc/39/45/39/568394539.db2.gz BGYTYTGLAPCMIV-KRWDZBQOSA-N 0 0 372.415 5.066 20 30 FKEDRN CC[C@H](CC(F)F)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000457504975 568394548 /nfs/dbraw/zinc/39/45/48/568394548.db2.gz BGYTYTGLAPCMIV-QGZVFWFLSA-N 0 0 372.415 5.066 20 30 FKEDRN CC(C)Oc1ccc(C(=O)Nc2ccccc2SCCC#N)c(Cl)c1 ZINC000457547620 568396891 /nfs/dbraw/zinc/39/68/91/568396891.db2.gz IPDYVTIOTABFFM-UHFFFAOYSA-N 0 0 374.893 5.385 20 30 FKEDRN CC[C@@H](CC(F)F)C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC000457553442 568397151 /nfs/dbraw/zinc/39/71/51/568397151.db2.gz IPDHQCMCDZSFLJ-KRWDZBQOSA-N 0 0 374.406 5.220 20 30 FKEDRN CC[C@H](CC(F)F)C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC000457553443 568397153 /nfs/dbraw/zinc/39/71/53/568397153.db2.gz IPDHQCMCDZSFLJ-QGZVFWFLSA-N 0 0 374.406 5.220 20 30 FKEDRN CC[C@@H](CC(F)F)C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C ZINC000457565720 568399673 /nfs/dbraw/zinc/39/96/73/568399673.db2.gz UCVGLGTZGSZWCR-KRWDZBQOSA-N 0 0 374.406 5.220 20 30 FKEDRN CC[C@H](CC(F)F)C(=O)N(Cc1ccc(C#N)cc1)c1ccc(F)cc1C ZINC000457565721 568399669 /nfs/dbraw/zinc/39/96/69/568399669.db2.gz UCVGLGTZGSZWCR-QGZVFWFLSA-N 0 0 374.406 5.220 20 30 FKEDRN Cc1ccc([C@@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C2CC2)cc1 ZINC000457566802 568399956 /nfs/dbraw/zinc/39/99/56/568399956.db2.gz ILUMPATZOOOEMZ-FCHUYYIVSA-N 0 0 361.489 5.181 20 30 FKEDRN Cc1ccc([C@@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C2CC2)cc1 ZINC000457566806 568399993 /nfs/dbraw/zinc/39/99/93/568399993.db2.gz ILUMPATZOOOEMZ-FGZHOGPDSA-N 0 0 361.489 5.181 20 30 FKEDRN Cc1ccc([C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C2CC2)cc1 ZINC000457566812 568399988 /nfs/dbraw/zinc/39/99/88/568399988.db2.gz ILUMPATZOOOEMZ-YADHBBJMSA-N 0 0 361.489 5.181 20 30 FKEDRN CC[C@H](CC(F)F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000457617461 568402009 /nfs/dbraw/zinc/40/20/09/568402009.db2.gz PMZACFJHFRVELN-GFCCVEGCSA-N 0 0 362.351 5.110 20 30 FKEDRN CC[C@@H](CC(F)F)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000457617462 568402657 /nfs/dbraw/zinc/40/26/57/568402657.db2.gz PMZACFJHFRVELN-LBPRGKRZSA-N 0 0 362.351 5.110 20 30 FKEDRN C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000457632437 568409671 /nfs/dbraw/zinc/40/96/71/568409671.db2.gz NPVUAAIKZVYYRW-UYAOXDASSA-N 0 0 359.510 5.010 20 30 FKEDRN CC[C@H](CC(F)F)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000457706422 568448880 /nfs/dbraw/zinc/44/88/80/568448880.db2.gz WXEAHYURQQNCMU-GDBMZVCRSA-N 0 0 356.416 5.084 20 30 FKEDRN CC[C@H](CC(F)F)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000457706423 568448887 /nfs/dbraw/zinc/44/88/87/568448887.db2.gz WXEAHYURQQNCMU-GOEBONIOSA-N 0 0 356.416 5.084 20 30 FKEDRN CC[C@@H](CC(F)F)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000457706424 568448871 /nfs/dbraw/zinc/44/88/71/568448871.db2.gz WXEAHYURQQNCMU-HOCLYGCPSA-N 0 0 356.416 5.084 20 30 FKEDRN CC[C@@H](CC(F)F)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000457706425 568448860 /nfs/dbraw/zinc/44/88/60/568448860.db2.gz WXEAHYURQQNCMU-ZBFHGGJFSA-N 0 0 356.416 5.084 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(OC(C)C)cc1Cl ZINC000457740288 568450092 /nfs/dbraw/zinc/45/00/92/568450092.db2.gz HLKPNZZGFDQVTE-UHFFFAOYSA-N 0 0 371.908 6.231 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)COCc1cccc(Cl)c1 ZINC000457740331 568450205 /nfs/dbraw/zinc/45/02/05/568450205.db2.gz HMQTWFRBKQGUBZ-UHFFFAOYSA-N 0 0 357.881 5.347 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cc2ccc(OC)cc2nc1C ZINC000457750950 568451268 /nfs/dbraw/zinc/45/12/68/568451268.db2.gz ONDWNVLQTSHMOP-UHFFFAOYSA-N 0 0 374.484 5.656 20 30 FKEDRN CC(C)Oc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c(Cl)c1 ZINC000457830191 568474269 /nfs/dbraw/zinc/47/42/69/568474269.db2.gz UOUUVPOZHOWYCS-FQEVSTJZSA-N 0 0 370.880 5.292 20 30 FKEDRN CC(C)Oc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c(Cl)c1 ZINC000457830193 568474208 /nfs/dbraw/zinc/47/42/08/568474208.db2.gz UOUUVPOZHOWYCS-HXUWFJFHSA-N 0 0 370.880 5.292 20 30 FKEDRN N#Cc1ccc(CCC(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)cc1 ZINC000458121900 568539658 /nfs/dbraw/zinc/53/96/58/568539658.db2.gz IFUWPAZXGDTCTD-HSZRJFAPSA-N 0 0 358.485 5.025 20 30 FKEDRN N#Cc1ccc(CCC(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)cc1 ZINC000458121901 568539697 /nfs/dbraw/zinc/53/96/97/568539697.db2.gz IFUWPAZXGDTCTD-QHCPKHFHSA-N 0 0 358.485 5.025 20 30 FKEDRN C=CCCOCCCCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458129012 568548663 /nfs/dbraw/zinc/54/86/63/568548663.db2.gz NRIUSRMRKVHOJW-JOCHJYFZSA-N 0 0 355.522 5.283 20 30 FKEDRN C=CCCOCCCCC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458129013 568548703 /nfs/dbraw/zinc/54/87/03/568548703.db2.gz NRIUSRMRKVHOJW-QFIPXVFZSA-N 0 0 355.522 5.283 20 30 FKEDRN N#CCCC[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000458381472 568720996 /nfs/dbraw/zinc/72/09/96/568720996.db2.gz ILQAXYIGTFRQPB-IBGZPJMESA-N 0 0 367.880 5.063 20 30 FKEDRN N#CCCC[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000458381473 568720879 /nfs/dbraw/zinc/72/08/79/568720879.db2.gz ILQAXYIGTFRQPB-LJQANCHMSA-N 0 0 367.880 5.063 20 30 FKEDRN Cc1sc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000471282019 568626921 /nfs/dbraw/zinc/62/69/21/568626921.db2.gz HDBVSVVFRNKSHW-VIFPVBQESA-N 0 0 353.274 5.286 20 30 FKEDRN COc1ccccc1[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1ccco1 ZINC000481670519 568083619 /nfs/dbraw/zinc/08/36/19/568083619.db2.gz OZBRIGABDUVMPP-ZJSXRUAMSA-N 0 0 372.468 5.307 20 30 FKEDRN N#Cc1cc(NC(=O)N(Cc2ccc3ccccc3c2)C2CC2)ccc1F ZINC000481735420 568099866 /nfs/dbraw/zinc/09/98/66/568099866.db2.gz BJAPCGORKNWDAW-UHFFFAOYSA-N 0 0 359.404 5.047 20 30 FKEDRN N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000481919205 568187198 /nfs/dbraw/zinc/18/71/98/568187198.db2.gz JXGAUTASAMDBIW-BJKOFHAPSA-N 0 0 353.469 5.100 20 30 FKEDRN N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000481919207 568187240 /nfs/dbraw/zinc/18/72/40/568187240.db2.gz JXGAUTASAMDBIW-DNQXCXABSA-N 0 0 353.469 5.100 20 30 FKEDRN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](c1nccs1)c1ccccc1 ZINC000481922522 568187936 /nfs/dbraw/zinc/18/79/36/568187936.db2.gz PHZQXQMYOJGCOY-LEWJYISDSA-N 0 0 359.498 5.161 20 30 FKEDRN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](c1nccs1)c1ccccc1 ZINC000481922523 568187929 /nfs/dbraw/zinc/18/79/29/568187929.db2.gz PHZQXQMYOJGCOY-NHCUHLMSSA-N 0 0 359.498 5.161 20 30 FKEDRN C[C@@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1nc(C(F)(F)F)cs1 ZINC000481998079 568219826 /nfs/dbraw/zinc/21/98/26/568219826.db2.gz HONKSEJAEUFIKT-ABAIWWIYSA-N 0 0 365.424 5.152 20 30 FKEDRN C[C@@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1nc(C(F)(F)F)cs1 ZINC000481998082 568219757 /nfs/dbraw/zinc/21/97/57/568219757.db2.gz HONKSEJAEUFIKT-IAQYHMDHSA-N 0 0 365.424 5.152 20 30 FKEDRN C[C@H](N[C@H]1CCCCc2cc(C#N)ccc21)c1nc(C(F)(F)F)cs1 ZINC000481998084 568219823 /nfs/dbraw/zinc/21/98/23/568219823.db2.gz HONKSEJAEUFIKT-NHYWBVRUSA-N 0 0 365.424 5.152 20 30 FKEDRN C[C@H](N[C@@H]1CCCCc2cc(C#N)ccc21)c1nc(C(F)(F)F)cs1 ZINC000481998086 568219865 /nfs/dbraw/zinc/21/98/65/568219865.db2.gz HONKSEJAEUFIKT-XHDPSFHLSA-N 0 0 365.424 5.152 20 30 FKEDRN C[C@H]1c2ccsc2CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000482000683 568220591 /nfs/dbraw/zinc/22/05/91/568220591.db2.gz VCHLLJHLLYWEPX-HNNXBMFYSA-N 0 0 374.465 5.172 20 30 FKEDRN N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc4cccnc43)c2)cc1 ZINC000482072371 568253930 /nfs/dbraw/zinc/25/39/30/568253930.db2.gz VRMLKKFQPHQIQK-UHFFFAOYSA-N 0 0 365.392 5.151 20 30 FKEDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000482078448 568254853 /nfs/dbraw/zinc/25/48/53/568254853.db2.gz QEMFIHSFZQBOSA-INIZCTEOSA-N 0 0 374.415 5.323 20 30 FKEDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000482078449 568254863 /nfs/dbraw/zinc/25/48/63/568254863.db2.gz QEMFIHSFZQBOSA-MRXNPFEDSA-N 0 0 374.415 5.323 20 30 FKEDRN CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1CCc2ccccc21 ZINC000482079686 568254968 /nfs/dbraw/zinc/25/49/68/568254968.db2.gz SELYQCGGTVRZEG-QHCPKHFHSA-N 0 0 368.436 5.110 20 30 FKEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3c3cccs3)c2)cc1 ZINC000482082583 568255034 /nfs/dbraw/zinc/25/50/34/568255034.db2.gz ZLGVVTZZONQIEO-FQEVSTJZSA-N 0 0 374.465 5.389 20 30 FKEDRN N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@@H]3c3cccs3)c2)cc1 ZINC000482082591 568255041 /nfs/dbraw/zinc/25/50/41/568255041.db2.gz ZLGVVTZZONQIEO-HXUWFJFHSA-N 0 0 374.465 5.389 20 30 FKEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482082770 568255055 /nfs/dbraw/zinc/25/50/55/568255055.db2.gz NKPUQZGWSARAGA-KRWDZBQOSA-N 0 0 360.457 5.093 20 30 FKEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482082771 568255079 /nfs/dbraw/zinc/25/50/79/568255079.db2.gz NKPUQZGWSARAGA-QGZVFWFLSA-N 0 0 360.457 5.093 20 30 FKEDRN N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cl)c(C#N)c3)c2)cc1 ZINC000482125147 568273693 /nfs/dbraw/zinc/27/36/93/568273693.db2.gz PMOMALGSLQIWID-UHFFFAOYSA-N 0 0 373.799 5.128 20 30 FKEDRN N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3Cl)c2)cc1 ZINC000482163492 568299514 /nfs/dbraw/zinc/29/95/14/568299514.db2.gz KZIBHZUBMRMRRC-UHFFFAOYSA-N 0 0 366.779 5.395 20 30 FKEDRN N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)cc1 ZINC000482220419 568321076 /nfs/dbraw/zinc/32/10/76/568321076.db2.gz MDWWJUCZAUHAKA-UHFFFAOYSA-N 0 0 366.779 5.395 20 30 FKEDRN CCc1cccc(C)c1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000482248830 568533154 /nfs/dbraw/zinc/53/31/54/568533154.db2.gz UZICFBNGCUHNTA-UHFFFAOYSA-N 0 0 356.425 5.474 20 30 FKEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000531456115 568343782 /nfs/dbraw/zinc/34/37/82/568343782.db2.gz BYBWEPSEEGMDRC-PBHICJAKSA-N 0 0 374.271 5.297 20 30 FKEDRN CCCCc1noc([C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000542005815 568515694 /nfs/dbraw/zinc/51/56/94/568515694.db2.gz RISDRTGZNRHOHY-JTQLQIEISA-N 0 0 355.385 5.156 20 30 FKEDRN N#Cc1ccc(SCc2noc(C3CCCCC3)n2)cc1C(F)(F)F ZINC000542006604 568574150 /nfs/dbraw/zinc/57/41/50/568574150.db2.gz MZYUZAYVXDKVQS-UHFFFAOYSA-N 0 0 367.396 5.300 20 30 FKEDRN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000548583646 567836266 /nfs/dbraw/zinc/83/62/66/567836266.db2.gz MFKLENRMVOAIRA-QKNQBKEWSA-N 0 0 364.876 5.010 20 30 FKEDRN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)ccc1Cl ZINC000548583647 567836284 /nfs/dbraw/zinc/83/62/84/567836284.db2.gz MFKLENRMVOAIRA-SBHAEUEKSA-N 0 0 364.876 5.010 20 30 FKEDRN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)ccc1Cl ZINC000548583648 567836254 /nfs/dbraw/zinc/83/62/54/567836254.db2.gz MFKLENRMVOAIRA-SFHLNBCPSA-N 0 0 364.876 5.010 20 30 FKEDRN N#Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000548583649 567836280 /nfs/dbraw/zinc/83/62/80/567836280.db2.gz MFKLENRMVOAIRA-ZVDOUQERSA-N 0 0 364.876 5.010 20 30 FKEDRN C=CCSc1ccccc1C(=O)Nc1ccc(Br)cc1C ZINC000548587289 567836395 /nfs/dbraw/zinc/83/63/95/567836395.db2.gz YMQUMTIFJORZFU-UHFFFAOYSA-N 0 0 362.292 5.288 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1coc(C2CCCCC2)n1 ZINC000548600701 567830006 /nfs/dbraw/zinc/83/00/06/567830006.db2.gz MIWGUVWVADPPBF-AWEZNQCLSA-N 0 0 369.490 5.369 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)c1coc(C2CCCCC2)n1 ZINC000548600702 567829940 /nfs/dbraw/zinc/82/99/40/567829940.db2.gz MIWGUVWVADPPBF-CQSZACIVSA-N 0 0 369.490 5.369 20 30 FKEDRN N#CCCN(C(=O)c1cc2sccc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000548601763 567830501 /nfs/dbraw/zinc/83/05/01/567830501.db2.gz YSOWRWQKZADYMP-UHFFFAOYSA-N 0 0 370.543 5.287 20 30 FKEDRN C=CCSc1ccccc1C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000548603036 567830502 /nfs/dbraw/zinc/83/05/02/567830502.db2.gz MORCUTXRGBNMEL-UHFFFAOYSA-N 0 0 373.562 5.166 20 30 FKEDRN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548607469 567831794 /nfs/dbraw/zinc/83/17/94/567831794.db2.gz BFRSMCZRGSXMPN-LLVKDONJSA-N 0 0 366.770 5.064 20 30 FKEDRN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548607470 567831772 /nfs/dbraw/zinc/83/17/72/567831772.db2.gz BFRSMCZRGSXMPN-NSHDSACASA-N 0 0 366.770 5.064 20 30 FKEDRN N#Cc1ccc(C(=O)Nc2ccccc2COc2ccccc2)cc1Cl ZINC000548611071 567832139 /nfs/dbraw/zinc/83/21/39/567832139.db2.gz 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N#CC1(N(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C2CC2)CCC1 ZINC000551283493 568196462 /nfs/dbraw/zinc/19/64/62/568196462.db2.gz OSPZCRKHCJHBPQ-UHFFFAOYSA-N 0 0 356.878 5.119 20 30 FKEDRN CC1(C#N)CCN(C(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000551295568 568203049 /nfs/dbraw/zinc/20/30/49/568203049.db2.gz YCTFKPZGNBMMFF-MOPGFXCFSA-N 0 0 373.928 5.092 20 30 FKEDRN CC1(C#N)CCN(C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000551295569 568203025 /nfs/dbraw/zinc/20/30/25/568203025.db2.gz YCTFKPZGNBMMFF-OALUTQOASA-N 0 0 373.928 5.092 20 30 FKEDRN CC1(C#N)CCN(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000551295570 568203063 /nfs/dbraw/zinc/20/30/63/568203063.db2.gz YCTFKPZGNBMMFF-RBUKOAKNSA-N 0 0 373.928 5.092 20 30 FKEDRN CC1(C#N)CCN(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000551295571 568203058 /nfs/dbraw/zinc/20/30/58/568203058.db2.gz YCTFKPZGNBMMFF-RTBURBONSA-N 0 0 373.928 5.092 20 30 FKEDRN C=CCC[C@H](NC(=O)N1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC000551298809 568203280 /nfs/dbraw/zinc/20/32/80/568203280.db2.gz JZYCYICQNWZKRG-KRWDZBQOSA-N 0 0 354.416 5.068 20 30 FKEDRN C=CCC[C@@H](NC(=O)N1CCC(CC(F)(F)F)CC1)c1ccccc1 ZINC000551298810 568203250 /nfs/dbraw/zinc/20/32/50/568203250.db2.gz JZYCYICQNWZKRG-QGZVFWFLSA-N 0 0 354.416 5.068 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(F)ccc1NC(C)C ZINC000551319507 568210313 /nfs/dbraw/zinc/21/03/13/568210313.db2.gz RZPYAROZEAOCDQ-UHFFFAOYSA-N 0 0 367.449 5.293 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000551321889 568207478 /nfs/dbraw/zinc/20/74/78/568207478.db2.gz BAMCSEGRBBGGFT-UHFFFAOYSA-N 0 0 359.454 5.135 20 30 FKEDRN C[C@@H](c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)C(C)(F)F ZINC000551338588 568213146 /nfs/dbraw/zinc/21/31/46/568213146.db2.gz WHXVHCVKMNPMLG-LURJTMIESA-N 0 0 374.231 5.533 20 30 FKEDRN C[C@H](c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)C(C)(F)F ZINC000551338596 568213186 /nfs/dbraw/zinc/21/31/86/568213186.db2.gz WHXVHCVKMNPMLG-ZCFIWIBFSA-N 0 0 374.231 5.533 20 30 FKEDRN C[C@@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)c1cccc(C#N)c1 ZINC000551374412 568224248 /nfs/dbraw/zinc/22/42/48/568224248.db2.gz JWHKQHDLEFUDHA-CYBMUJFWSA-N 0 0 353.878 5.186 20 30 FKEDRN Cc1ncsc1NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000551387784 568221801 /nfs/dbraw/zinc/22/18/01/568221801.db2.gz UOMJEBZSLYNXOB-UHFFFAOYSA-N 0 0 369.833 5.021 20 30 FKEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)Nc1ccccc1 ZINC000551395617 568228222 /nfs/dbraw/zinc/22/82/22/568228222.db2.gz VCKNOZRPCVTPDR-UHFFFAOYSA-N 0 0 357.413 5.090 20 30 FKEDRN N#Cc1cccc(C2(NCc3nc(-c4ccccc4Cl)cs3)CC2)c1 ZINC000551410737 568226101 /nfs/dbraw/zinc/22/61/01/568226101.db2.gz CTSZNAKACGZZHJ-UHFFFAOYSA-N 0 0 365.889 5.114 20 30 FKEDRN C=CCn1c(SC[C@@H]2CCC3(CCCC3)O2)nnc1-c1ccccc1C ZINC000551450999 568229918 /nfs/dbraw/zinc/22/99/18/568229918.db2.gz VXDFCCBNMAPNSL-KRWDZBQOSA-N 0 0 369.534 5.023 20 30 FKEDRN C=CCn1c(SC[C@H]2CCC3(CCCC3)O2)nnc1-c1ccccc1C ZINC000551451000 568229900 /nfs/dbraw/zinc/22/99/00/568229900.db2.gz VXDFCCBNMAPNSL-QGZVFWFLSA-N 0 0 369.534 5.023 20 30 FKEDRN CCc1c(C)sc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c1C#N ZINC000551458282 568230503 /nfs/dbraw/zinc/23/05/03/568230503.db2.gz SVEWHOZGVZVVOG-UHFFFAOYSA-N 0 0 371.849 5.051 20 30 FKEDRN C=CCC(C)(C)c1noc(-c2ncoc2-c2cccc(C(F)(F)F)c2)n1 ZINC000551493550 568233498 /nfs/dbraw/zinc/23/34/98/568233498.db2.gz ZPZBNHLERMUUGW-UHFFFAOYSA-N 0 0 363.339 5.264 20 30 FKEDRN C=CCC(C)(C)c1noc(-c2c(CC)onc2-c2ccccc2Cl)n1 ZINC000551497754 568233540 /nfs/dbraw/zinc/23/35/40/568233540.db2.gz XFMCSZYCJBQJPR-UHFFFAOYSA-N 0 0 357.841 5.461 20 30 FKEDRN C=CCC(C)(C)c1noc(-c2cc(C(C)C)nc3c2cnn3C(C)C)n1 ZINC000551497973 568233555 /nfs/dbraw/zinc/23/35/55/568233555.db2.gz JWIUDDBCZWPMPH-UHFFFAOYSA-N 0 0 353.470 5.039 20 30 FKEDRN N#C[C@@H](C(=O)c1ccc2c(c1)CCC=C2)c1nc(-c2ccccc2)cs1 ZINC000551506715 568233531 /nfs/dbraw/zinc/23/35/31/568233531.db2.gz NBANUBGRIOQAIJ-IBGZPJMESA-N 0 0 356.450 5.260 20 30 FKEDRN N#C[C@H](C(=O)c1ccc2c(c1)CCC=C2)c1nc(-c2ccccc2)cs1 ZINC000551506718 568233526 /nfs/dbraw/zinc/23/35/26/568233526.db2.gz NBANUBGRIOQAIJ-LJQANCHMSA-N 0 0 356.450 5.260 20 30 FKEDRN CC(C)(C#N)c1ccccc1CN(Cc1cccs1)CC(F)(F)F ZINC000551507210 568233656 /nfs/dbraw/zinc/23/36/56/568233656.db2.gz AQBTUWKRENKXLA-UHFFFAOYSA-N 0 0 352.425 5.114 20 30 FKEDRN CC(C)c1ccoc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000551514557 568233731 /nfs/dbraw/zinc/23/37/31/568233731.db2.gz QGZKLCDJYDVXBK-UHFFFAOYSA-N 0 0 374.440 5.300 20 30 FKEDRN N#Cc1cc(-c2ccccc2)sc1NC(=O)c1cc(F)cc2cccnc21 ZINC000551518616 568233832 /nfs/dbraw/zinc/23/38/32/568233832.db2.gz DYPGDGUFGGSLSE-UHFFFAOYSA-N 0 0 373.412 5.226 20 30 FKEDRN C=CCCCC(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551519927 568233842 /nfs/dbraw/zinc/23/38/42/568233842.db2.gz MQISUZJOFLLRSM-UHFFFAOYSA-N 0 0 353.306 5.039 20 30 FKEDRN CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000551555756 568231943 /nfs/dbraw/zinc/23/19/43/568231943.db2.gz FYMATONSDTYNEL-AWEZNQCLSA-N 0 0 350.393 5.057 20 30 FKEDRN CCCN(C(=O)c1ccc(F)c(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000551555757 568231922 /nfs/dbraw/zinc/23/19/22/568231922.db2.gz FYMATONSDTYNEL-CQSZACIVSA-N 0 0 350.393 5.057 20 30 FKEDRN Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551558771 568232224 /nfs/dbraw/zinc/23/22/24/568232224.db2.gz ISOOJAQLGGRJRM-KRWDZBQOSA-N 0 0 373.525 5.254 20 30 FKEDRN Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551558789 568232203 /nfs/dbraw/zinc/23/22/03/568232203.db2.gz ISOOJAQLGGRJRM-QGZVFWFLSA-N 0 0 373.525 5.254 20 30 FKEDRN C[C@@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)c1ccc(C#N)c(F)c1 ZINC000551566272 568232479 /nfs/dbraw/zinc/23/24/79/568232479.db2.gz IFYUMZYIKNUBOR-GFCCVEGCSA-N 0 0 371.868 5.325 20 30 FKEDRN C[C@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)c1ccc(C#N)c(F)c1 ZINC000551566273 568232505 /nfs/dbraw/zinc/23/25/05/568232505.db2.gz IFYUMZYIKNUBOR-LBPRGKRZSA-N 0 0 371.868 5.325 20 30 FKEDRN N#Cc1cccc(C2(NCc3ccc(-c4nc5ccccc5s4)o3)CC2)c1 ZINC000551577089 568233352 /nfs/dbraw/zinc/23/33/52/568233352.db2.gz QYZFFKWPDFRUJI-UHFFFAOYSA-N 0 0 371.465 5.207 20 30 FKEDRN N#CCC[C@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000551592078 568236723 /nfs/dbraw/zinc/23/67/23/568236723.db2.gz KETGUVFUKAFYIO-IBGZPJMESA-N 0 0 367.905 5.598 20 30 FKEDRN N#CCC[C@@H]([NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000551592079 568236711 /nfs/dbraw/zinc/23/67/11/568236711.db2.gz KETGUVFUKAFYIO-LJQANCHMSA-N 0 0 367.905 5.598 20 30 FKEDRN CCCOc1cc(F)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000551609378 568234431 /nfs/dbraw/zinc/23/44/31/568234431.db2.gz VKDGDEVDBZYRNN-UHFFFAOYSA-N 0 0 368.433 5.262 20 30 FKEDRN CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000551789539 568247397 /nfs/dbraw/zinc/24/73/97/568247397.db2.gz PXKSKIXOWDELQF-JXFKEZNVSA-N 0 0 356.897 5.823 20 30 FKEDRN CC(C)Oc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1Cl ZINC000551789540 568247347 /nfs/dbraw/zinc/24/73/47/568247347.db2.gz PXKSKIXOWDELQF-OXJNMPFZSA-N 0 0 356.897 5.823 20 30 FKEDRN CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1Cl ZINC000551789541 568247370 /nfs/dbraw/zinc/24/73/70/568247370.db2.gz PXKSKIXOWDELQF-OXQOHEQNSA-N 0 0 356.897 5.823 20 30 FKEDRN CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000551789542 568247394 /nfs/dbraw/zinc/24/73/94/568247394.db2.gz PXKSKIXOWDELQF-UZLBHIALSA-N 0 0 356.897 5.823 20 30 FKEDRN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000551804073 568250734 /nfs/dbraw/zinc/25/07/34/568250734.db2.gz NNMVLXQGHCBVMM-GFCCVEGCSA-N 0 0 362.807 5.153 20 30 FKEDRN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000551804074 568250739 /nfs/dbraw/zinc/25/07/39/568250739.db2.gz NNMVLXQGHCBVMM-LBPRGKRZSA-N 0 0 362.807 5.153 20 30 FKEDRN C=CCC(C)(C)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000551808911 568250871 /nfs/dbraw/zinc/25/08/71/568250871.db2.gz VRACHNVDQVDZEI-GFCCVEGCSA-N 0 0 362.926 5.551 20 30 FKEDRN C=CCC(C)(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000551808916 568250888 /nfs/dbraw/zinc/25/08/88/568250888.db2.gz VRACHNVDQVDZEI-LBPRGKRZSA-N 0 0 362.926 5.551 20 30 FKEDRN CCOc1cc(Cl)ccc1NC(=O)c1sc2ccc(C#N)cc2c1C ZINC000551827137 568251725 /nfs/dbraw/zinc/25/17/25/568251725.db2.gz LJSHSOMCLDBQKR-UHFFFAOYSA-N 0 0 370.861 5.386 20 30 FKEDRN Cc1nc(CC(C)C)c(NC(=O)c2sc3ccc(C#N)cc3c2C)s1 ZINC000551846268 568252043 /nfs/dbraw/zinc/25/20/43/568252043.db2.gz QSRXLRATBUUQAT-UHFFFAOYSA-N 0 0 369.515 5.297 20 30 FKEDRN N#CCCN(C(=O)CC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000551935134 568252613 /nfs/dbraw/zinc/25/26/13/568252613.db2.gz JFEMJZKKAXBWCH-UHFFFAOYSA-N 0 0 372.443 5.295 20 30 FKEDRN Cc1c2ccc3ccccc3c2oc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000551935145 568252634 /nfs/dbraw/zinc/25/26/34/568252634.db2.gz KEJZRCCUQUXNMW-UHFFFAOYSA-N 0 0 372.399 5.594 20 30 FKEDRN Cc1sc(NC(=O)C2(C#N)CCCCC2)nc1-c1cccc(Cl)c1 ZINC000552019495 568256603 /nfs/dbraw/zinc/25/66/03/568256603.db2.gz XUXLXLFGAYKJLA-UHFFFAOYSA-N 0 0 359.882 5.185 20 30 FKEDRN C=CCC[C@@H](Nc1ccc(NC(=O)CC(F)(F)F)cc1)c1ccco1 ZINC000552056678 568255105 /nfs/dbraw/zinc/25/51/05/568255105.db2.gz NOYRLKCAMKOUIU-OAHLLOKOSA-N 0 0 352.356 5.290 20 30 FKEDRN Cc1nc(-c2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)cs1 ZINC000552063866 568255231 /nfs/dbraw/zinc/25/52/31/568255231.db2.gz QCCGBWHKOOSNBU-UHFFFAOYSA-N 0 0 374.513 5.071 20 30 FKEDRN N#Cc1ccc(N2CCC(Nc3cccc(CCC(F)(F)F)c3)CC2)cc1 ZINC000552068016 568255315 /nfs/dbraw/zinc/25/53/15/568255315.db2.gz DWZAUEWXPILHLA-UHFFFAOYSA-N 0 0 373.422 5.134 20 30 FKEDRN C=CCC[C@H](NCc1cc(F)c(F)cc1Br)c1ccco1 ZINC000552099475 568257932 /nfs/dbraw/zinc/25/79/32/568257932.db2.gz KBIGLLWLBJQAMO-HNNXBMFYSA-N 0 0 356.210 5.117 20 30 FKEDRN C=CCC[C@@H](NCc1cc(F)c(F)cc1Br)c1ccco1 ZINC000552099476 568257902 /nfs/dbraw/zinc/25/79/02/568257902.db2.gz KBIGLLWLBJQAMO-OAHLLOKOSA-N 0 0 356.210 5.117 20 30 FKEDRN CC[C@@](C)(C#N)C(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC000552105918 568258009 /nfs/dbraw/zinc/25/80/09/568258009.db2.gz NJOFMRTYRWWDMV-IBGZPJMESA-N 0 0 361.272 5.216 20 30 FKEDRN CC[C@](C)(C#N)C(=O)NCc1ccccc1-c1ccc(Cl)cc1Cl ZINC000552105919 568258006 /nfs/dbraw/zinc/25/80/06/568258006.db2.gz NJOFMRTYRWWDMV-LJQANCHMSA-N 0 0 361.272 5.216 20 30 FKEDRN N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Sc3ccncc3)cc2)c1 ZINC000552115529 568258132 /nfs/dbraw/zinc/25/81/32/568258132.db2.gz FMCNCRGGABLJRS-UHFFFAOYSA-N 0 0 365.845 5.010 20 30 FKEDRN COc1cc(C)c(NC(=O)c2sc3ccc(C#N)cc3c2C)c(C)c1C ZINC000552138492 568259045 /nfs/dbraw/zinc/25/90/45/568259045.db2.gz RKUJLVNCUJGWST-UHFFFAOYSA-N 0 0 364.470 5.268 20 30 FKEDRN N#Cc1ccc(Cl)c(C(=O)Nc2ccc(COc3ccccc3)cc2)c1 ZINC000552140783 568259810 /nfs/dbraw/zinc/25/98/10/568259810.db2.gz XXCDDICCDALIRQ-UHFFFAOYSA-N 0 0 362.816 5.043 20 30 FKEDRN Cc1oc(C(C)C)nc1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000552143023 568259925 /nfs/dbraw/zinc/25/99/25/568259925.db2.gz ZUVOVZTXRYETBW-HNNXBMFYSA-N 0 0 373.456 5.136 20 30 FKEDRN Cc1oc(C(C)C)nc1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000552143024 568259940 /nfs/dbraw/zinc/25/99/40/568259940.db2.gz ZUVOVZTXRYETBW-OAHLLOKOSA-N 0 0 373.456 5.136 20 30 FKEDRN Cc1cc(Cl)c2ccccc2c1NC(=O)c1cc(C#N)ccc1Cl ZINC000552149967 568259904 /nfs/dbraw/zinc/25/99/04/568259904.db2.gz REJJTTCDWASGCW-UHFFFAOYSA-N 0 0 355.224 5.579 20 30 FKEDRN N#Cc1ccc(Cl)c(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000552167225 568261477 /nfs/dbraw/zinc/26/14/77/568261477.db2.gz SESHSQQKLDYHDO-UHFFFAOYSA-N 0 0 359.134 5.136 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cc(Cc2ccccc2)[nH]n1 ZINC000552177595 568261503 /nfs/dbraw/zinc/26/15/03/568261503.db2.gz VYGMWFWTVOJEHU-UHFFFAOYSA-N 0 0 359.473 5.105 20 30 FKEDRN CC(C)(C(=O)Nc1ccc(-c2ccco2)cc1F)c1cc(F)cc(C#N)c1 ZINC000552217039 568264759 /nfs/dbraw/zinc/26/47/59/568264759.db2.gz QUDLBLDQKUJNPZ-UHFFFAOYSA-N 0 0 366.367 5.013 20 30 FKEDRN Cc1ccc(-c2ccc(Cl)cc2NC(=O)c2cc(C#N)ccc2Cl)o1 ZINC000552223056 568265350 /nfs/dbraw/zinc/26/53/50/568265350.db2.gz VZSSOYAVSQYIOI-UHFFFAOYSA-N 0 0 371.223 5.686 20 30 FKEDRN CC[C@H](C)Sc1ccc(NCc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000552224660 568265362 /nfs/dbraw/zinc/26/53/62/568265362.db2.gz KQOHEWIQPPFUEC-HNNXBMFYSA-N 0 0 350.491 5.017 20 30 FKEDRN CC[C@@H](C)Sc1ccc(NCc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000552224661 568265332 /nfs/dbraw/zinc/26/53/32/568265332.db2.gz KQOHEWIQPPFUEC-OAHLLOKOSA-N 0 0 350.491 5.017 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000552233121 568265407 /nfs/dbraw/zinc/26/54/07/568265407.db2.gz NSYWNWKGPDYXNG-HNNXBMFYSA-N 0 0 362.926 5.034 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000552233122 568265429 /nfs/dbraw/zinc/26/54/29/568265429.db2.gz NSYWNWKGPDYXNG-OAHLLOKOSA-N 0 0 362.926 5.034 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000552241314 568263360 /nfs/dbraw/zinc/26/33/60/568263360.db2.gz JYNDSWCVFSCGIF-OAHLLOKOSA-N 0 0 362.926 5.034 20 30 FKEDRN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)Cc1ccc(C#N)o1 ZINC000552246545 568263877 /nfs/dbraw/zinc/26/38/77/568263877.db2.gz XXVZZGPSXFACBF-HNNXBMFYSA-N 0 0 351.475 5.085 20 30 FKEDRN C=CCCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000552249102 568264026 /nfs/dbraw/zinc/26/40/26/568264026.db2.gz DMGGCKJEFKLLEW-UHFFFAOYSA-N 0 0 370.452 5.310 20 30 FKEDRN CCCN(CC(C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000552279918 568267157 /nfs/dbraw/zinc/26/71/57/568267157.db2.gz LGICZXAUCATDPA-UHFFFAOYSA-N 0 0 351.450 5.250 20 30 FKEDRN C=CCC[C@H](NCc1nc(-c2cc3ccccc3o2)cs1)c1ccco1 ZINC000552280315 568267250 /nfs/dbraw/zinc/26/72/50/568267250.db2.gz CYUQFDDTEUWHOR-INIZCTEOSA-N 0 0 364.470 5.946 20 30 FKEDRN N#CCCC[C@@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1 ZINC000552312990 568273189 /nfs/dbraw/zinc/27/31/89/568273189.db2.gz GIAFQBNABGKDNB-GOSISDBHSA-N 0 0 366.814 5.884 20 30 FKEDRN N#CCCC[C@H]([NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1 ZINC000552312991 568273172 /nfs/dbraw/zinc/27/31/72/568273172.db2.gz GIAFQBNABGKDNB-SFHVURJKSA-N 0 0 366.814 5.884 20 30 FKEDRN N#CCCC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000552313039 568273252 /nfs/dbraw/zinc/27/32/52/568273252.db2.gz ICEWMCARJSAVCJ-SFHVURJKSA-N 0 0 366.814 5.884 20 30 FKEDRN N#CCCC[C@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)c1ccccc1 ZINC000552313073 568273250 /nfs/dbraw/zinc/27/32/50/568273250.db2.gz KPBKFQJTHJQOJM-INIZCTEOSA-N 0 0 351.252 5.657 20 30 FKEDRN N#CCCC[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)c1ccccc1 ZINC000552313074 568273240 /nfs/dbraw/zinc/27/32/40/568273240.db2.gz KPBKFQJTHJQOJM-MRXNPFEDSA-N 0 0 351.252 5.657 20 30 FKEDRN N#Cc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000552329576 568274970 /nfs/dbraw/zinc/27/49/70/568274970.db2.gz UTWLMMOJWABZSO-UHFFFAOYSA-N 0 0 374.252 5.241 20 30 FKEDRN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000552354399 568270150 /nfs/dbraw/zinc/27/01/50/568270150.db2.gz AREAJPOHJGMABW-HNNXBMFYSA-N 0 0 367.880 5.151 20 30 FKEDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000552354400 568270193 /nfs/dbraw/zinc/27/01/93/568270193.db2.gz AREAJPOHJGMABW-OAHLLOKOSA-N 0 0 367.880 5.151 20 30 FKEDRN N#CC[C@H](CC(=O)Nc1ccc2nc(C(F)F)sc2c1)c1ccccc1 ZINC000552381587 568275072 /nfs/dbraw/zinc/27/50/72/568275072.db2.gz FOZCRFVQMRDMJO-CYBMUJFWSA-N 0 0 371.412 5.260 20 30 FKEDRN N#CC[C@@H](CC(=O)Nc1ccc2nc(C(F)F)sc2c1)c1ccccc1 ZINC000552381588 568275102 /nfs/dbraw/zinc/27/51/02/568275102.db2.gz FOZCRFVQMRDMJO-ZDUSSCGKSA-N 0 0 371.412 5.260 20 30 FKEDRN CC(C)(C(=O)Nc1cc(C(F)F)ccc1Cl)c1cc(F)cc(C#N)c1 ZINC000552387492 568277447 /nfs/dbraw/zinc/27/74/47/568277447.db2.gz KEXXXKNTODDGPU-UHFFFAOYSA-N 0 0 366.770 5.205 20 30 FKEDRN CC(C)c1[nH]ccc1C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000552416062 568280238 /nfs/dbraw/zinc/28/02/38/568280238.db2.gz VAUQQLZMWAJFJV-INIZCTEOSA-N 0 0 357.457 5.168 20 30 FKEDRN CC(C)c1[nH]ccc1C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000552416063 568280199 /nfs/dbraw/zinc/28/01/99/568280199.db2.gz VAUQQLZMWAJFJV-MRXNPFEDSA-N 0 0 357.457 5.168 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000552431270 568278346 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N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2-c2ccccc2)c1 ZINC000552484497 568294633 /nfs/dbraw/zinc/29/46/33/568294633.db2.gz KFDDJSODEMYGHG-UHFFFAOYSA-N 0 0 367.235 5.784 20 30 FKEDRN C[C@H](CC(=O)Nc1ccccc1SCCC#N)Cc1ccc(Cl)cc1 ZINC000552498125 568290308 /nfs/dbraw/zinc/29/03/08/568290308.db2.gz PYZQHGSJJHIRJZ-HNNXBMFYSA-N 0 0 372.921 5.553 20 30 FKEDRN C[C@@H](CC(=O)Nc1ccccc1SCCC#N)Cc1ccc(Cl)cc1 ZINC000552498126 568290337 /nfs/dbraw/zinc/29/03/37/568290337.db2.gz PYZQHGSJJHIRJZ-OAHLLOKOSA-N 0 0 372.921 5.553 20 30 FKEDRN N#Cc1ccc(Cl)c(C(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c1 ZINC000552519983 568291285 /nfs/dbraw/zinc/29/12/85/568291285.db2.gz CFRBJFMLRQTYSZ-UHFFFAOYSA-N 0 0 372.815 5.007 20 30 FKEDRN CC(C)(c1ccc(NC(=O)c2cc(C#N)ccc2Cl)cc1)C(F)(F)F ZINC000552519987 568291259 /nfs/dbraw/zinc/29/12/59/568291259.db2.gz CHWVJSXRLGDJQH-UHFFFAOYSA-N 0 0 366.770 5.304 20 30 FKEDRN N#Cc1ccc(Cl)c(C(=O)Nc2cc(-c3ccccc3)ccc2Cl)c1 ZINC000552530402 568270421 /nfs/dbraw/zinc/27/04/21/568270421.db2.gz 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568281446 /nfs/dbraw/zinc/28/14/46/568281446.db2.gz PZEUESOVTGYEFQ-HNNXBMFYSA-N 0 0 372.399 5.254 20 30 FKEDRN C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c2ccccc21 ZINC000552641309 568281439 /nfs/dbraw/zinc/28/14/39/568281439.db2.gz PZEUESOVTGYEFQ-OAHLLOKOSA-N 0 0 372.399 5.254 20 30 FKEDRN C=CCCOCCCCC(=O)Nc1ccc(N2CCCCCC2)cc1C ZINC000552641928 568281583 /nfs/dbraw/zinc/28/15/83/568281583.db2.gz QTPPZERRPVCXCJ-UHFFFAOYSA-N 0 0 358.526 5.077 20 30 FKEDRN N#C[C@H](C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccn1 ZINC000552678719 568277142 /nfs/dbraw/zinc/27/71/42/568277142.db2.gz ZXVWZLWJXCZKDB-SFHVURJKSA-N 0 0 364.857 5.376 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000552718984 568279024 /nfs/dbraw/zinc/27/90/24/568279024.db2.gz KXCUPTYXXABNBI-CYBMUJFWSA-N 0 0 359.882 5.201 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000552718985 568279071 /nfs/dbraw/zinc/27/90/71/568279071.db2.gz KXCUPTYXXABNBI-ZDUSSCGKSA-N 0 0 359.882 5.201 20 30 FKEDRN N#CC1(c2ccc(C(=O)Nc3ccc4nc(C(F)F)sc4c3)cc2)CC1 ZINC000552729879 568280184 /nfs/dbraw/zinc/28/01/84/568280184.db2.gz LCMHWFXNVONJCY-UHFFFAOYSA-N 0 0 369.396 5.041 20 30 FKEDRN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000552733026 568280461 /nfs/dbraw/zinc/28/04/61/568280461.db2.gz HBNOWZPIWRJBRG-INIZCTEOSA-N 0 0 361.514 5.492 20 30 FKEDRN Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000552733029 568280469 /nfs/dbraw/zinc/28/04/69/568280469.db2.gz HBNOWZPIWRJBRG-MRXNPFEDSA-N 0 0 361.514 5.492 20 30 FKEDRN C=CCN(CCC#N)C(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000552754828 568282900 /nfs/dbraw/zinc/28/29/00/568282900.db2.gz DTGYHODXSAAREP-UHFFFAOYSA-N 0 0 373.481 5.019 20 30 FKEDRN C=CCN(CCC#N)C(=O)c1cccc(CSc2cc(C)ccc2C)c1 ZINC000552779560 568287119 /nfs/dbraw/zinc/28/71/19/568287119.db2.gz MSJFRILWIOCWDU-UHFFFAOYSA-N 0 0 364.514 5.138 20 30 FKEDRN N#Cc1c(Cl)cccc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000552786921 568287241 /nfs/dbraw/zinc/28/72/41/568287241.db2.gz 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5.385 20 30 FKEDRN Cc1cc(N2CCCCCC2)ccc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000552962835 568304735 /nfs/dbraw/zinc/30/47/35/568304735.db2.gz CXXLOLMSJXAVTC-UHFFFAOYSA-N 0 0 367.880 5.153 20 30 FKEDRN N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000552970469 568301749 /nfs/dbraw/zinc/30/17/49/568301749.db2.gz WAHGHQXADJVDAY-MOPGFXCFSA-N 0 0 354.906 5.416 20 30 FKEDRN N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000552970470 568301756 /nfs/dbraw/zinc/30/17/56/568301756.db2.gz WAHGHQXADJVDAY-OALUTQOASA-N 0 0 354.906 5.416 20 30 FKEDRN N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000552970472 568301754 /nfs/dbraw/zinc/30/17/54/568301754.db2.gz WAHGHQXADJVDAY-RBUKOAKNSA-N 0 0 354.906 5.416 20 30 FKEDRN N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000552970473 568301751 /nfs/dbraw/zinc/30/17/51/568301751.db2.gz WAHGHQXADJVDAY-RTBURBONSA-N 0 0 354.906 5.416 20 30 FKEDRN CC(C)c1ccc(SCC(=O)Nc2ccccc2SCCC#N)cc1 ZINC000552998466 568306416 /nfs/dbraw/zinc/30/64/16/568306416.db2.gz DIXRZPNQCBJOQO-UHFFFAOYSA-N 0 0 370.543 5.547 20 30 FKEDRN Cc1nsc(NCc2nc(-c3ccc(Cl)cc3)c(C)s2)c1C#N ZINC000553000640 568306966 /nfs/dbraw/zinc/30/69/66/568306966.db2.gz QQRHRULZTHHTME-UHFFFAOYSA-N 0 0 360.895 5.021 20 30 FKEDRN N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000553009595 568307848 /nfs/dbraw/zinc/30/78/48/568307848.db2.gz QEYNBNYVHJCFHB-UHFFFAOYSA-N 0 0 359.134 5.136 20 30 FKEDRN Cc1ccc(OCc2nc(CNc3ccc(Cl)c(C#N)c3)cs2)cc1 ZINC000553010718 568305044 /nfs/dbraw/zinc/30/50/44/568305044.db2.gz WYIHUNXZIWVHBK-UHFFFAOYSA-N 0 0 369.877 5.168 20 30 FKEDRN Cc1ccsc1C(=O)Nc1ccc(Oc2nccc(C#N)c2Cl)cc1 ZINC000553034660 568310149 /nfs/dbraw/zinc/31/01/49/568310149.db2.gz NNHOBQPNOSZLTB-UHFFFAOYSA-N 0 0 369.833 5.021 20 30 FKEDRN C=CCSc1ccccc1C(=O)Nc1cccc(-c2ncco2)c1C ZINC000553070768 568311161 /nfs/dbraw/zinc/31/11/61/568311161.db2.gz CHTKMULASUEEGT-UHFFFAOYSA-N 0 0 350.443 5.180 20 30 FKEDRN C=CCN(CCC#N)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 ZINC000553102980 568313521 /nfs/dbraw/zinc/31/35/21/568313521.db2.gz SBXTYIDOFZINTO-UHFFFAOYSA-N 0 0 364.514 5.138 20 30 FKEDRN COc1cccc(F)c1[C@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000553103880 568317481 /nfs/dbraw/zinc/31/74/81/568317481.db2.gz BGEBBCDKFZXCQY-INIZCTEOSA-N 0 0 360.432 5.224 20 30 FKEDRN COc1cccc(F)c1[C@@H](C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000553103881 568317443 /nfs/dbraw/zinc/31/74/43/568317443.db2.gz BGEBBCDKFZXCQY-MRXNPFEDSA-N 0 0 360.432 5.224 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1SC(C)C ZINC000553120035 568314368 /nfs/dbraw/zinc/31/43/68/568314368.db2.gz ZMXCVBIQMIARHY-UHFFFAOYSA-N 0 0 371.550 5.183 20 30 FKEDRN C[C@H](c1ccccc1)N(C(=O)c1cn(CCCC#N)c2ccccc12)C1CC1 ZINC000553139704 568316284 /nfs/dbraw/zinc/31/62/84/568316284.db2.gz ZVDBLLDDSSEGFN-GOSISDBHSA-N 0 0 371.484 5.311 20 30 FKEDRN C[C@@H](c1ccccc1)N(C(=O)c1cn(CCCC#N)c2ccccc12)C1CC1 ZINC000553139705 568316292 /nfs/dbraw/zinc/31/62/92/568316292.db2.gz ZVDBLLDDSSEGFN-SFHVURJKSA-N 0 0 371.484 5.311 20 30 FKEDRN C=CCCC1(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000553142954 568316438 /nfs/dbraw/zinc/31/64/38/568316438.db2.gz RXDCUFJELFNUSV-INIZCTEOSA-N 0 0 351.412 5.158 20 30 FKEDRN C=CCCC1(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000553142955 568316449 /nfs/dbraw/zinc/31/64/49/568316449.db2.gz RXDCUFJELFNUSV-MRXNPFEDSA-N 0 0 351.412 5.158 20 30 FKEDRN C=CCC1(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)CCC1 ZINC000553145990 568316450 /nfs/dbraw/zinc/31/64/50/568316450.db2.gz WXXPXZJZQCIVCK-INIZCTEOSA-N 0 0 351.412 5.158 20 30 FKEDRN C=CCC1(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCC1 ZINC000553145991 568316468 /nfs/dbraw/zinc/31/64/68/568316468.db2.gz WXXPXZJZQCIVCK-MRXNPFEDSA-N 0 0 351.412 5.158 20 30 FKEDRN N#Cc1ccc(Oc2ccc(Oc3nc(C(F)(F)F)ns3)cc2)cc1 ZINC000553153353 568316765 /nfs/dbraw/zinc/31/67/65/568316765.db2.gz OATXINWSGJYNOH-UHFFFAOYSA-N 0 0 363.320 5.013 20 30 FKEDRN C=CCCOCCCCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000553164457 568317092 /nfs/dbraw/zinc/31/70/92/568317092.db2.gz RRFIGUSPKUULFB-HXUWFJFHSA-N 0 0 363.929 5.547 20 30 FKEDRN C[C@]1(c2ccccc2)CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000553180284 568318171 /nfs/dbraw/zinc/31/81/71/568318171.db2.gz WZAPQOLCWPTFPK-QPPBQGQZSA-N 0 0 360.501 5.044 20 30 FKEDRN C[C@]1(c2ccccc2)CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000553180285 568318115 /nfs/dbraw/zinc/31/81/15/568318115.db2.gz WZAPQOLCWPTFPK-URXFXBBRSA-N 0 0 360.501 5.044 20 30 FKEDRN C[C@@]1(c2ccccc2)CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000553180286 568318114 /nfs/dbraw/zinc/31/81/14/568318114.db2.gz WZAPQOLCWPTFPK-XUZZJYLKSA-N 0 0 360.501 5.044 20 30 FKEDRN C[C@@]1(c2ccccc2)CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000553180287 568318123 /nfs/dbraw/zinc/31/81/23/568318123.db2.gz WZAPQOLCWPTFPK-ZJSXRUAMSA-N 0 0 360.501 5.044 20 30 FKEDRN Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1-c1ccncc1 ZINC000553224726 568320512 /nfs/dbraw/zinc/32/05/12/568320512.db2.gz OIBXUKQOMPCFJT-UHFFFAOYSA-N 0 0 355.441 5.111 20 30 FKEDRN COCCC[C@@H](CNc1cc(C(C)=O)ccc1C#N)c1ccc(Cl)cc1 ZINC000553245217 568317885 /nfs/dbraw/zinc/31/78/85/568317885.db2.gz MUNSOTXRHDTPHY-IBGZPJMESA-N 0 0 370.880 5.037 20 30 FKEDRN COCCC[C@H](CNc1cc(C(C)=O)ccc1C#N)c1ccc(Cl)cc1 ZINC000553245219 568317919 /nfs/dbraw/zinc/31/79/19/568317919.db2.gz MUNSOTXRHDTPHY-LJQANCHMSA-N 0 0 370.880 5.037 20 30 FKEDRN N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(CC(F)(F)F)CC1 ZINC000553252779 568317937 /nfs/dbraw/zinc/31/79/37/568317937.db2.gz ARSGRDJZBPPHCI-UHFFFAOYSA-N 0 0 371.765 5.068 20 30 FKEDRN C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1nc(-c2ccccc2)cs1 ZINC000553261696 568321139 /nfs/dbraw/zinc/32/11/39/568321139.db2.gz PGWBKIGEKAKCEQ-YWZLYKJASA-N 0 0 359.498 5.410 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000553273744 568320686 /nfs/dbraw/zinc/32/06/86/568320686.db2.gz XANAZGHJHJGHBM-KBMXLJTQSA-N 0 0 370.905 5.476 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1C[C@H](C)c2ccccc21 ZINC000553319894 568330923 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C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000553320149 568331089 /nfs/dbraw/zinc/33/10/89/568331089.db2.gz RKKYRQCUFUSUAV-SJORKVTESA-N 0 0 367.518 5.224 20 30 FKEDRN CC(C)CN(C)c1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 ZINC000553329785 568334493 /nfs/dbraw/zinc/33/44/93/568334493.db2.gz OHWXJHFQFKCPSJ-UHFFFAOYSA-N 0 0 367.518 5.037 20 30 FKEDRN Cc1ccc([C@@H](NCc2ccccc2C#N)c2ccc(F)cc2Cl)cc1 ZINC000553340355 568332013 /nfs/dbraw/zinc/33/20/13/568332013.db2.gz CFFPFUOTWJKXNQ-JOCHJYFZSA-N 0 0 364.851 5.538 20 30 FKEDRN Cc1ccc([C@H](NCc2ccccc2C#N)c2ccc(F)cc2Cl)cc1 ZINC000553340356 568331991 /nfs/dbraw/zinc/33/19/91/568331991.db2.gz CFFPFUOTWJKXNQ-QFIPXVFZSA-N 0 0 364.851 5.538 20 30 FKEDRN C=CCC[C@@H](NCc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000553386002 568346266 /nfs/dbraw/zinc/34/62/66/568346266.db2.gz LNVIXBDPRMKAIN-MRXNPFEDSA-N 0 0 360.379 5.644 20 30 FKEDRN CC(C)c1oc([C@@H]2CCCN2c2ccnc(C#N)c2)nc1-c1ccccc1 ZINC000553400422 568355311 /nfs/dbraw/zinc/35/53/11/568355311.db2.gz 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ZINC000553420042 568364834 /nfs/dbraw/zinc/36/48/34/568364834.db2.gz XTLRWVKRSRQGMC-UHFFFAOYSA-N 0 0 359.473 5.248 20 30 FKEDRN N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000553439075 568371216 /nfs/dbraw/zinc/37/12/16/568371216.db2.gz LVXMDDRLFVZSGE-PMACEKPBSA-N 0 0 352.865 5.093 20 30 FKEDRN N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000553439076 568371184 /nfs/dbraw/zinc/37/11/84/568371184.db2.gz LVXMDDRLFVZSGE-UXHICEINSA-N 0 0 352.865 5.093 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCC(C)(C)c1ccccc1 ZINC000553452054 568375114 /nfs/dbraw/zinc/37/51/14/568375114.db2.gz FSEKKKFFCAHOSK-UHFFFAOYSA-N 0 0 367.537 5.127 20 30 FKEDRN Cc1ccc(Cl)c2sc(NC(=O)c3cc(C#N)ccc3Cl)nc21 ZINC000553491313 568394115 /nfs/dbraw/zinc/39/41/15/568394115.db2.gz WMPNUBPMFRQCDT-UHFFFAOYSA-N 0 0 362.241 5.036 20 30 FKEDRN N#Cc1ccnc(N2CCC(Sc3ccc(Cl)cc3)CC2)c1Cl ZINC000553508343 568394982 /nfs/dbraw/zinc/39/49/82/568394982.db2.gz ZFLXZMSOAOVSCJ-UHFFFAOYSA-N 0 0 364.301 5.021 20 30 FKEDRN CC(C)c1ccc2ncc(C#N)c(N3CCC(F)(c4cccnc4)CC3)c2c1 ZINC000553561415 568395595 /nfs/dbraw/zinc/39/55/95/568395595.db2.gz FQMIBFRINBKPDK-UHFFFAOYSA-N 0 0 374.463 5.090 20 30 FKEDRN N#Cc1cccc(Oc2ccc(NC(=O)CC3(C(F)(F)F)CC3)cc2)c1 ZINC000553603761 568395932 /nfs/dbraw/zinc/39/59/32/568395932.db2.gz YBECDCLECMBQOD-UHFFFAOYSA-N 0 0 360.335 5.022 20 30 FKEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CC1(C(F)(F)F)CC1 ZINC000553620060 568395966 /nfs/dbraw/zinc/39/59/66/568395966.db2.gz PXMUTFCRZYUKBS-UHFFFAOYSA-N 0 0 374.362 5.330 20 30 FKEDRN C[C@H](NC(=O)CC1(C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000553638577 568396112 /nfs/dbraw/zinc/39/61/12/568396112.db2.gz PXAGSZQJINEVIB-AWEZNQCLSA-N 0 0 372.390 5.135 20 30 FKEDRN C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000553638582 568396096 /nfs/dbraw/zinc/39/60/96/568396096.db2.gz PXAGSZQJINEVIB-CQSZACIVSA-N 0 0 372.390 5.135 20 30 FKEDRN C=CC[C@H](C(=O)Nc1ccc2nc(C(F)F)sc2c1)c1ccccc1 ZINC000553645352 568396230 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PKUYMQCWUMKDIY-UHFFFAOYSA-N 0 0 367.861 5.066 20 30 FKEDRN N#Cc1cccc(Cl)c1N1CCC(c2nc3ccccc3s2)CC1 ZINC000553842864 568400981 /nfs/dbraw/zinc/40/09/81/568400981.db2.gz CJGRPQVSEJCIKV-UHFFFAOYSA-N 0 0 353.878 5.205 20 30 FKEDRN CCN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cc(C)ccc1C ZINC000553859943 568401292 /nfs/dbraw/zinc/40/12/92/568401292.db2.gz ZZGIPKAELCBREA-UHFFFAOYSA-N 0 0 371.440 5.029 20 30 FKEDRN N#Cc1ccccc1Sc1ccc(C(=O)N(C2CCC2)C2CCC2)cc1 ZINC000553859974 568401291 /nfs/dbraw/zinc/40/12/91/568401291.db2.gz OXDPXMSDNFSTFQ-UHFFFAOYSA-N 0 0 362.498 5.257 20 30 FKEDRN Cc1cc([C@@H](NCc2ccc(Br)cc2C#N)C2CC2)ccc1F ZINC000553878249 568401358 /nfs/dbraw/zinc/40/13/58/568401358.db2.gz FDLZFZSSAQXVHV-IBGZPJMESA-N 0 0 373.269 5.009 20 30 FKEDRN Cc1cc([C@H](NCc2ccc(Br)cc2C#N)C2CC2)ccc1F ZINC000553878253 568401347 /nfs/dbraw/zinc/40/13/47/568401347.db2.gz FDLZFZSSAQXVHV-LJQANCHMSA-N 0 0 373.269 5.009 20 30 FKEDRN C[C@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1ccc(F)cc1F ZINC000553890597 568401661 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ZINC000553978842 568402359 /nfs/dbraw/zinc/40/23/59/568402359.db2.gz WJZBZDCVLHODJV-OAHLLOKOSA-N 0 0 359.454 5.059 20 30 FKEDRN N#Cc1cc(NC(=O)CC2(C(F)(F)F)CC2)ccc1Oc1ccccc1 ZINC000553979877 568402361 /nfs/dbraw/zinc/40/23/61/568402361.db2.gz VJRPCWGHWAXLEJ-UHFFFAOYSA-N 0 0 360.335 5.022 20 30 FKEDRN C/C=C\c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000554014805 568402686 /nfs/dbraw/zinc/40/26/86/568402686.db2.gz AYNHVCDMDAUQNL-IHWYPQMZSA-N 0 0 355.397 5.031 20 30 FKEDRN C/C=C/c1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000554014806 568402734 /nfs/dbraw/zinc/40/27/34/568402734.db2.gz AYNHVCDMDAUQNL-NSCUHMNNSA-N 0 0 355.397 5.031 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1C(C)(C)C ZINC000554051063 568398670 /nfs/dbraw/zinc/39/86/70/568398670.db2.gz KRBVDNPICROPGC-UHFFFAOYSA-N 0 0 368.525 5.372 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cl)cc1C ZINC000554059865 568398826 /nfs/dbraw/zinc/39/88/26/568398826.db2.gz YNBGNFDZANQWHF-UHFFFAOYSA-N 0 0 360.889 5.036 20 30 FKEDRN CC(C)(CCC#N)CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000554079776 568399176 /nfs/dbraw/zinc/39/91/76/568399176.db2.gz CSFWJWFSWACWFU-UHFFFAOYSA-N 0 0 356.853 5.192 20 30 FKEDRN Cc1ccc(-c2ccc(C(=O)NCC(C)(C)CCC#N)c(F)c2)cc1C ZINC000554095721 568399373 /nfs/dbraw/zinc/39/93/73/568399373.db2.gz FWNCQLJKUGICNP-UHFFFAOYSA-N 0 0 352.453 5.169 20 30 FKEDRN Cc1cc(F)ccc1-c1ccc(C(=O)NCC(C)(C)CCC#N)cc1F ZINC000554099158 568399391 /nfs/dbraw/zinc/39/93/91/568399391.db2.gz OWAFNGKJWPXQOH-UHFFFAOYSA-N 0 0 356.416 5.000 20 30 FKEDRN CC(C)(C#N)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000554120342 568399691 /nfs/dbraw/zinc/39/96/91/568399691.db2.gz NLEFDGGTEADJGB-BDTNDASRSA-N 0 0 373.500 5.288 20 30 FKEDRN CC(C)(C#N)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000554120343 568399678 /nfs/dbraw/zinc/39/96/78/568399678.db2.gz NLEFDGGTEADJGB-BHDDXSALSA-N 0 0 373.500 5.288 20 30 FKEDRN CC(C)(C#N)c1ccc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000554120344 568399671 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CC(C)(C)c1nc2ccc(NC(=O)NCC(C)(C)CCC#N)cc2s1 ZINC000554265945 568404064 /nfs/dbraw/zinc/40/40/64/568404064.db2.gz LQOIKDMDJKUZQJ-UHFFFAOYSA-N 0 0 358.511 5.045 20 30 FKEDRN Cc1c2ccccc2oc1[C@@H](C)NCc1ccc(Br)cc1C#N ZINC000554272617 568404196 /nfs/dbraw/zinc/40/41/96/568404196.db2.gz OVRGJHWUNYPSNO-CYBMUJFWSA-N 0 0 369.262 5.226 20 30 FKEDRN CC(C)(C)c1ccc2cc(C(=O)N(CCC#N)c3ccc(F)cc3)[nH]c2c1 ZINC000554283561 568404393 /nfs/dbraw/zinc/40/43/93/568404393.db2.gz ORUCZBQFPGNETF-UHFFFAOYSA-N 0 0 363.436 5.165 20 30 FKEDRN N#CCCN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000554284341 568404397 /nfs/dbraw/zinc/40/43/97/568404397.db2.gz MNFODQZWLFDJRI-VXKWHMMOSA-N 0 0 358.416 5.029 20 30 FKEDRN N#CCCN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000554284342 568404375 /nfs/dbraw/zinc/40/43/75/568404375.db2.gz MNFODQZWLFDJRI-YADHBBJMSA-N 0 0 358.416 5.029 20 30 FKEDRN N#CCCN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc(F)cc1 ZINC000554286764 568404374 /nfs/dbraw/zinc/40/43/74/568404374.db2.gz SAOPVRNNWLZYOG-FCHUYYIVSA-N 0 0 358.416 5.029 20 30 FKEDRN N#CCCN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(F)cc1 ZINC000554286765 568404411 /nfs/dbraw/zinc/40/44/11/568404411.db2.gz SAOPVRNNWLZYOG-FGZHOGPDSA-N 0 0 358.416 5.029 20 30 FKEDRN N#CCCN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1ccc(F)cc1 ZINC000554286766 568404403 /nfs/dbraw/zinc/40/44/03/568404403.db2.gz SAOPVRNNWLZYOG-VXKWHMMOSA-N 0 0 358.416 5.029 20 30 FKEDRN N#CCCN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1ccc(F)cc1 ZINC000554286767 568404398 /nfs/dbraw/zinc/40/43/98/568404398.db2.gz SAOPVRNNWLZYOG-YADHBBJMSA-N 0 0 358.416 5.029 20 30 FKEDRN Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000554319771 568404561 /nfs/dbraw/zinc/40/45/61/568404561.db2.gz NDEPOSBLWMXTNA-LLVKDONJSA-N 0 0 357.479 5.042 20 30 FKEDRN Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000554319772 568404582 /nfs/dbraw/zinc/40/45/82/568404582.db2.gz NDEPOSBLWMXTNA-NSHDSACASA-N 0 0 357.479 5.042 20 30 FKEDRN N#Cc1ccc(CN[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)nc1 ZINC000554360286 568405083 /nfs/dbraw/zinc/40/50/83/568405083.db2.gz PDVLNOLHPUINOX-FQEVSTJZSA-N 0 0 368.267 5.139 20 30 FKEDRN N#Cc1ccc(CN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)nc1 ZINC000554360287 568405044 /nfs/dbraw/zinc/40/50/44/568405044.db2.gz PDVLNOLHPUINOX-HXUWFJFHSA-N 0 0 368.267 5.139 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(C(C)C)c1 ZINC000554382504 568405464 /nfs/dbraw/zinc/40/54/64/568405464.db2.gz KEKCGKCLQXVUGT-UHFFFAOYSA-N 0 0 354.498 5.198 20 30 FKEDRN N#CCCC[C@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1ccccc1 ZINC000554392434 568406047 /nfs/dbraw/zinc/40/60/47/568406047.db2.gz YLPGUEDOYYHFES-NRFANRHFSA-N 0 0 371.440 5.039 20 30 FKEDRN N#CCCC[C@@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1ccccc1 ZINC000554392435 568406033 /nfs/dbraw/zinc/40/60/33/568406033.db2.gz YLPGUEDOYYHFES-OAQYLSRUSA-N 0 0 371.440 5.039 20 30 FKEDRN Cc1cc(SC2CCCCC2)ccc1NC(=O)NCC(C)(C)CCC#N ZINC000554428678 568406521 /nfs/dbraw/zinc/40/65/21/568406521.db2.gz XNOKZHHDBHWMPM-UHFFFAOYSA-N 0 0 373.566 5.871 20 30 FKEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC000554436223 568406744 /nfs/dbraw/zinc/40/67/44/568406744.db2.gz CTMWNZHRMWRXQG-GOSISDBHSA-N 0 0 369.490 5.022 20 30 FKEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000554436224 568406723 /nfs/dbraw/zinc/40/67/23/568406723.db2.gz CTMWNZHRMWRXQG-SFHVURJKSA-N 0 0 369.490 5.022 20 30 FKEDRN Cc1cccc(COc2cccc(NC(=O)NCC(C)(C)CCC#N)c2)c1 ZINC000554446782 568407026 /nfs/dbraw/zinc/40/70/26/568407026.db2.gz NCPQLDHHNRYQGS-UHFFFAOYSA-N 0 0 365.477 5.026 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)NC(C1CCC1)C1CCC1 ZINC000554447957 568407050 /nfs/dbraw/zinc/40/70/50/568407050.db2.gz TWYGGBHGHOAAPU-AWEZNQCLSA-N 0 0 357.523 5.171 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)NC(C1CCC1)C1CCC1 ZINC000554447958 568407022 /nfs/dbraw/zinc/40/70/22/568407022.db2.gz TWYGGBHGHOAAPU-CQSZACIVSA-N 0 0 357.523 5.171 20 30 FKEDRN CC(C)(CCC#N)CNC(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000554461445 568407066 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C=CC[C@@H]1N(C(=O)Nc2cnn(CC(C)C)c2C2CC2)CCCC1(C)C ZINC000554494065 568406682 /nfs/dbraw/zinc/40/66/82/568406682.db2.gz DBCDGRCINJTWDE-SFHVURJKSA-N 0 0 358.530 5.015 20 30 FKEDRN C=CCCc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C(C)C ZINC000554539662 568407595 /nfs/dbraw/zinc/40/75/95/568407595.db2.gz LYBSWPYEADZSBS-UHFFFAOYSA-N 0 0 359.473 5.367 20 30 FKEDRN CN(CC(C)(C)C#N)C(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000554555805 568407684 /nfs/dbraw/zinc/40/76/84/568407684.db2.gz SBUZSUJMPJLGHV-UHFFFAOYSA-N 0 0 374.815 5.195 20 30 FKEDRN C=CCCc1ccccc1NC(=O)N1CCC[C@H]1Cc1cccc(OC)c1 ZINC000554576406 568407829 /nfs/dbraw/zinc/40/78/29/568407829.db2.gz AYTAOCQHGGDYHB-FQEVSTJZSA-N 0 0 364.489 5.053 20 30 FKEDRN C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000554576407 568407906 /nfs/dbraw/zinc/40/79/06/568407906.db2.gz AYTAOCQHGGDYHB-HXUWFJFHSA-N 0 0 364.489 5.053 20 30 FKEDRN N#Cc1ccccc1N(Cc1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000554590537 568408078 /nfs/dbraw/zinc/40/80/78/568408078.db2.gz 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C=CCCCCNC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1 ZINC000555081456 568416808 /nfs/dbraw/zinc/41/68/08/568416808.db2.gz AMWKMIIAMRYJEE-UHFFFAOYSA-N 0 0 360.498 5.008 20 30 FKEDRN C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ncc(C(C)(C)C)o1 ZINC000555127074 568417937 /nfs/dbraw/zinc/41/79/37/568417937.db2.gz PVNJYBSMTFPAED-AWEZNQCLSA-N 0 0 362.433 5.204 20 30 FKEDRN C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ncc(C(C)(C)C)o1 ZINC000555127075 568417923 /nfs/dbraw/zinc/41/79/23/568417923.db2.gz PVNJYBSMTFPAED-CQSZACIVSA-N 0 0 362.433 5.204 20 30 FKEDRN C[C@H](Sc1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000555134874 568417988 /nfs/dbraw/zinc/41/79/88/568417988.db2.gz YDUYVNYVRHHUAJ-INIZCTEOSA-N 0 0 358.466 5.664 20 30 FKEDRN C[C@@H](Sc1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000555134879 568417984 /nfs/dbraw/zinc/41/79/84/568417984.db2.gz YDUYVNYVRHHUAJ-MRXNPFEDSA-N 0 0 358.466 5.664 20 30 FKEDRN COc1ccc(CNc2cccnc2-c2ccccc2)cc1OCCCC#N ZINC000555144990 568418040 /nfs/dbraw/zinc/41/80/40/568418040.db2.gz XVGIVKRBXSMBKJ-UHFFFAOYSA-N 0 0 373.456 5.052 20 30 FKEDRN Cc1c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)ccn1C(C)C ZINC000555314019 568412980 /nfs/dbraw/zinc/41/29/80/568412980.db2.gz FXOAXUFKQSHRKM-UHFFFAOYSA-N 0 0 373.456 5.080 20 30 FKEDRN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1c(F)cccc1Cl ZINC000555345470 568413261 /nfs/dbraw/zinc/41/32/61/568413261.db2.gz QKZGRXBEOIJSKV-UHFFFAOYSA-N 0 0 359.832 5.041 20 30 FKEDRN Cn1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)c1C1CCC1 ZINC000555432151 568414057 /nfs/dbraw/zinc/41/40/57/568414057.db2.gz MLLYYMJGDWSYSQ-UHFFFAOYSA-N 0 0 371.440 5.209 20 30 FKEDRN CC(C)c1ccc(-c2nc(C(=O)Nc3ccccc3CC#N)cs2)cc1 ZINC000555513531 568416681 /nfs/dbraw/zinc/41/66/81/568416681.db2.gz AUYYDGKIZUBOOT-UHFFFAOYSA-N 0 0 361.470 5.252 20 30 FKEDRN Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccccc2CC#N)cc1F ZINC000555525003 568412341 /nfs/dbraw/zinc/41/23/41/568412341.db2.gz OPCKTVXFOFPFCV-UHFFFAOYSA-N 0 0 362.379 5.259 20 30 FKEDRN Cn1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1C1CCC1 ZINC000555537613 568413019 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Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cscc1C#N ZINC000555835762 568425101 /nfs/dbraw/zinc/42/51/01/568425101.db2.gz ULZUFJAVUNQXEX-HNNXBMFYSA-N 0 0 362.454 5.321 20 30 FKEDRN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cscc1C#N ZINC000555835768 568425050 /nfs/dbraw/zinc/42/50/50/568425050.db2.gz ULZUFJAVUNQXEX-OAHLLOKOSA-N 0 0 362.454 5.321 20 30 FKEDRN Cc1c(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)ccn1C(C)C ZINC000555836086 568425121 /nfs/dbraw/zinc/42/51/21/568425121.db2.gz DLMRZJJHSWPSSI-UHFFFAOYSA-N 0 0 373.456 5.080 20 30 FKEDRN CC(C)c1ccoc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000555848965 568425193 /nfs/dbraw/zinc/42/51/93/568425193.db2.gz GRKYKHBTXDMDQF-UHFFFAOYSA-N 0 0 364.376 5.458 20 30 FKEDRN N#Cc1ccc(Oc2cccc(NC(=O)c3cc(F)ccc3Cl)c2)cc1 ZINC000555882470 568425786 /nfs/dbraw/zinc/42/57/86/568425786.db2.gz JGFGWDKONIMRRJ-UHFFFAOYSA-N 0 0 366.779 5.395 20 30 FKEDRN Cc1ccc(C[C@H](C#N)Sc2nnc(CCC3CCCCC3)o2)cc1 ZINC000555922383 568426444 /nfs/dbraw/zinc/42/64/44/568426444.db2.gz WPUVPKUHAYJABI-GOSISDBHSA-N 0 0 355.507 5.118 20 30 FKEDRN Cc1ccc(C[C@@H](C#N)Sc2nnc(CCC3CCCCC3)o2)cc1 ZINC000555922384 568426440 /nfs/dbraw/zinc/42/64/40/568426440.db2.gz WPUVPKUHAYJABI-SFHVURJKSA-N 0 0 355.507 5.118 20 30 FKEDRN N#CCCSc1ccccc1NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000555957541 568426901 /nfs/dbraw/zinc/42/69/01/568426901.db2.gz HKWGNICUBUBHIU-UHFFFAOYSA-N 0 0 369.877 5.008 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c2ccccc2c1 ZINC000555958028 568426900 /nfs/dbraw/zinc/42/69/00/568426900.db2.gz AQVYHSAJXBYCGS-AWEZNQCLSA-N 0 0 364.445 5.483 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c2ccccc2c1 ZINC000555958032 568426918 /nfs/dbraw/zinc/42/69/18/568426918.db2.gz AQVYHSAJXBYCGS-CQSZACIVSA-N 0 0 364.445 5.483 20 30 FKEDRN N#Cc1cscc1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000555966618 568426951 /nfs/dbraw/zinc/42/69/51/568426951.db2.gz AXLPAKXTPNXSPP-UHFFFAOYSA-N 0 0 361.451 5.149 20 30 FKEDRN CC(F)(F)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)cc1 ZINC000555979464 568427061 /nfs/dbraw/zinc/42/70/61/568427061.db2.gz VAECMLQCXIZQOH-AWEZNQCLSA-N 0 0 369.198 5.100 20 30 FKEDRN CC(F)(F)c1ccc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)cc1 ZINC000555979465 568427100 /nfs/dbraw/zinc/42/71/00/568427100.db2.gz VAECMLQCXIZQOH-CQSZACIVSA-N 0 0 369.198 5.100 20 30 FKEDRN Cc1ccc2snc(C(=O)Nc3ccccc3S[C@H](C)CC#N)c2c1 ZINC000555994415 568427022 /nfs/dbraw/zinc/42/70/22/568427022.db2.gz QTTXUXPJOAJMJD-CYBMUJFWSA-N 0 0 367.499 5.251 20 30 FKEDRN Cc1ccc2snc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)c2c1 ZINC000555994416 568427043 /nfs/dbraw/zinc/42/70/43/568427043.db2.gz QTTXUXPJOAJMJD-ZDUSSCGKSA-N 0 0 367.499 5.251 20 30 FKEDRN Cc1cnc(-c2cccc(NC(=O)c3sc4ccc(C#N)cc4c3C)c2)o1 ZINC000555995575 568427110 /nfs/dbraw/zinc/42/71/10/568427110.db2.gz MQSUKVYNSUJZQJ-UHFFFAOYSA-N 0 0 373.437 5.297 20 30 FKEDRN CSc1ccc(N(C)C(=O)c2sc3ccc(C#N)cc3c2C)cc1 ZINC000556078947 568428287 /nfs/dbraw/zinc/42/82/87/568428287.db2.gz CNDCJWZRHKCENP-UHFFFAOYSA-N 0 0 352.484 5.080 20 30 FKEDRN Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(F)c1Cl ZINC000556096960 568428850 /nfs/dbraw/zinc/42/88/50/568428850.db2.gz AGDGHOMQTURCBS-UHFFFAOYSA-N 0 0 371.824 5.035 20 30 FKEDRN C=C(C)COc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000556139407 568422986 /nfs/dbraw/zinc/42/29/86/568422986.db2.gz NJBVXEPMPVGMGB-FQEVSTJZSA-N 0 0 370.880 5.664 20 30 FKEDRN C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000556139408 568423029 /nfs/dbraw/zinc/42/30/29/568423029.db2.gz NJBVXEPMPVGMGB-HXUWFJFHSA-N 0 0 370.880 5.664 20 30 FKEDRN COc1ccc(Cl)cc1N(C)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000556167788 568425525 /nfs/dbraw/zinc/42/55/25/568425525.db2.gz UUSQVSPVBFSYGW-UHFFFAOYSA-N 0 0 370.861 5.020 20 30 FKEDRN C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000556190765 568426910 /nfs/dbraw/zinc/42/69/10/568426910.db2.gz YGIBIUGPHMICKG-UHFFFAOYSA-N 0 0 356.853 5.133 20 30 FKEDRN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000556201379 568439100 /nfs/dbraw/zinc/43/91/00/568439100.db2.gz GBRZDTJSMBONTE-JSGCOSHPSA-N 0 0 353.413 5.248 20 30 FKEDRN C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000556201381 568439054 /nfs/dbraw/zinc/43/90/54/568439054.db2.gz GBRZDTJSMBONTE-OCCSQVGLSA-N 0 0 353.413 5.248 20 30 FKEDRN C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(OC(C)(C)C)cc1 ZINC000556202575 568439963 /nfs/dbraw/zinc/43/99/63/568439963.db2.gz PYNIZTVIESCPGW-AVRDEDQJSA-N 0 0 350.506 5.950 20 30 FKEDRN C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(OC(C)(C)C)cc1 ZINC000556202578 568439947 /nfs/dbraw/zinc/43/99/47/568439947.db2.gz PYNIZTVIESCPGW-GCJKJVERSA-N 0 0 350.506 5.950 20 30 FKEDRN C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(OC(C)(C)C)cc1 ZINC000556202580 568439941 /nfs/dbraw/zinc/43/99/41/568439941.db2.gz PYNIZTVIESCPGW-PGRDOPGGSA-N 0 0 350.506 5.950 20 30 FKEDRN C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(OC(C)(C)C)cc1 ZINC000556202581 568439949 /nfs/dbraw/zinc/43/99/49/568439949.db2.gz PYNIZTVIESCPGW-XMSQKQJNSA-N 0 0 350.506 5.950 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccccc1OC(C)(C)C ZINC000556213639 568440206 /nfs/dbraw/zinc/44/02/06/568440206.db2.gz RPTGIACUSXQWOW-UHFFFAOYSA-N 0 0 364.470 5.511 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc2ccsc2s1 ZINC000556250148 568430886 /nfs/dbraw/zinc/43/08/86/568430886.db2.gz WTXMIJIQSGDPNX-UHFFFAOYSA-N 0 0 355.469 5.005 20 30 FKEDRN C=CCC(F)(F)c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1 ZINC000556275178 568431408 /nfs/dbraw/zinc/43/14/08/568431408.db2.gz UPHRXGMEHFTGDU-UHFFFAOYSA-N 0 0 370.359 5.049 20 30 FKEDRN N#Cc1ccc(CSCc2ccc(C(F)(F)F)cn2)c(OC(F)F)c1 ZINC000556294710 568431644 /nfs/dbraw/zinc/43/16/44/568431644.db2.gz YIJNUCXOQYYFEO-UHFFFAOYSA-N 0 0 374.334 5.007 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(F)cc1NC(C)C ZINC000556298421 568431634 /nfs/dbraw/zinc/43/16/34/568431634.db2.gz JBTSBUBDAGEQAB-UHFFFAOYSA-N 0 0 367.449 5.293 20 30 FKEDRN C[C@H](c1ccccc1)n1c(S[C@@H](C)CCC#N)nnc1-c1ccccc1 ZINC000556325418 568432778 /nfs/dbraw/zinc/43/27/78/568432778.db2.gz VURGZWVSMYGURC-DLBZAZTESA-N 0 0 362.502 5.339 20 30 FKEDRN C[C@H](CCC#N)Sc1nnc(-c2ccccc2)n1[C@H](C)c1ccccc1 ZINC000556325419 568432787 /nfs/dbraw/zinc/43/27/87/568432787.db2.gz VURGZWVSMYGURC-IAGOWNOFSA-N 0 0 362.502 5.339 20 30 FKEDRN C[C@@H](CCC#N)Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 ZINC000556325420 568432760 /nfs/dbraw/zinc/43/27/60/568432760.db2.gz VURGZWVSMYGURC-IRXDYDNUSA-N 0 0 362.502 5.339 20 30 FKEDRN C[C@H](CCC#N)Sc1nnc(-c2ccccc2)n1[C@@H](C)c1ccccc1 ZINC000556325421 568432741 /nfs/dbraw/zinc/43/27/41/568432741.db2.gz VURGZWVSMYGURC-SJORKVTESA-N 0 0 362.502 5.339 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000556326712 568432910 /nfs/dbraw/zinc/43/29/10/568432910.db2.gz ZYAOFJHGHMBZPD-UHFFFAOYSA-N 0 0 374.387 5.439 20 30 FKEDRN C=C[C@](C)(CCOC)c1nc(C(C)(C)c2cccc3ccccc32)no1 ZINC000556353117 568433588 /nfs/dbraw/zinc/43/35/88/568433588.db2.gz KDKFSUAYYMRTOV-JOCHJYFZSA-N 0 0 350.462 5.029 20 30 FKEDRN C=C[C@@](C)(CCOC)c1nc(C(C)(C)c2cccc3ccccc32)no1 ZINC000556353118 568433631 /nfs/dbraw/zinc/43/36/31/568433631.db2.gz KDKFSUAYYMRTOV-QFIPXVFZSA-N 0 0 350.462 5.029 20 30 FKEDRN C=Cc1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)cc1 ZINC000556357211 568433621 /nfs/dbraw/zinc/43/36/21/568433621.db2.gz BDRNNHDQPVIVSF-UHFFFAOYSA-N 0 0 368.436 5.341 20 30 FKEDRN C=CCC(C)(C)c1noc(-c2c(C)onc2-c2c(Cl)cccc2OC)n1 ZINC000556360588 568433544 /nfs/dbraw/zinc/43/35/44/568433544.db2.gz IKAMWAXEJLAAPY-UHFFFAOYSA-N 0 0 373.840 5.216 20 30 FKEDRN CC(C)c1ccoc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 ZINC000556374090 568433701 /nfs/dbraw/zinc/43/37/01/568433701.db2.gz CPYXGTQWAJCZIY-UHFFFAOYSA-N 0 0 362.454 5.354 20 30 FKEDRN N#Cc1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)ccc1F ZINC000556410714 568434493 /nfs/dbraw/zinc/43/44/93/568434493.db2.gz VUBFFUAZIAFBJC-UHFFFAOYSA-N 0 0 370.305 5.034 20 30 FKEDRN C[C@@H](NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccc(C#N)cc1F ZINC000556418240 568434954 /nfs/dbraw/zinc/43/49/54/568434954.db2.gz MOIFVPMLEBEJAM-GFCCVEGCSA-N 0 0 371.868 5.325 20 30 FKEDRN C[C@H](NCc1cnc(-c2ccc(Cl)cc2)s1)c1ccc(C#N)cc1F ZINC000556418241 568434949 /nfs/dbraw/zinc/43/49/49/568434949.db2.gz MOIFVPMLEBEJAM-LBPRGKRZSA-N 0 0 371.868 5.325 20 30 FKEDRN N#CC1(N(C(=O)c2ccc(SCc3ccccc3)cc2)C2CC2)CCC1 ZINC000556434437 568435233 /nfs/dbraw/zinc/43/52/33/568435233.db2.gz QGNFCZCXCOLJHC-UHFFFAOYSA-N 0 0 362.498 5.030 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000556438741 568435199 /nfs/dbraw/zinc/43/51/99/568435199.db2.gz QBUPVLIQBRMDSW-KRWDZBQOSA-N 0 0 361.489 5.163 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000556438748 568435289 /nfs/dbraw/zinc/43/52/89/568435289.db2.gz QBUPVLIQBRMDSW-QGZVFWFLSA-N 0 0 361.489 5.163 20 30 FKEDRN N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc3ocnc32)cc1 ZINC000556438916 568435285 /nfs/dbraw/zinc/43/52/85/568435285.db2.gz PYKTYLJOLJDWOZ-UHFFFAOYSA-N 0 0 371.421 5.103 20 30 FKEDRN N#CC1(N(C(=O)c2sc3cc(Cl)ccc3c2Cl)C2CC2)CCC1 ZINC000556439259 568435364 /nfs/dbraw/zinc/43/53/64/568435364.db2.gz JUZQVMUEXPXACS-UHFFFAOYSA-N 0 0 365.285 5.259 20 30 FKEDRN CC(C)CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccccc1 ZINC000556473124 568435810 /nfs/dbraw/zinc/43/58/10/568435810.db2.gz AGFHPKRBTCPDQO-UHFFFAOYSA-N 0 0 374.440 5.033 20 30 FKEDRN N#CC[C@@H]1CC[C@H](NC(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000556601219 568438563 /nfs/dbraw/zinc/43/85/63/568438563.db2.gz OLDWTBUKSOJMCU-YJBOKZPZSA-N 0 0 357.523 5.066 20 30 FKEDRN Cc1coc(-c2cccc(NC(=O)c3sc4ccc(C#N)cc4c3C)c2)n1 ZINC000556623542 568435397 /nfs/dbraw/zinc/43/53/97/568435397.db2.gz AZEMNXFEAPYXQT-UHFFFAOYSA-N 0 0 373.437 5.297 20 30 FKEDRN C[C@H](c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1)C(F)(F)F ZINC000556634081 568432773 /nfs/dbraw/zinc/43/27/73/568432773.db2.gz WVJJEYTWJRTZMY-CYBMUJFWSA-N 0 0 364.342 5.052 20 30 FKEDRN C[C@@H](c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)cc1)C(F)(F)F ZINC000556634090 568432880 /nfs/dbraw/zinc/43/28/80/568432880.db2.gz WVJJEYTWJRTZMY-ZDUSSCGKSA-N 0 0 364.342 5.052 20 30 FKEDRN C=CCC(C)(C)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000556636863 568433441 /nfs/dbraw/zinc/43/34/41/568433441.db2.gz LLBRRSVTMGVUIZ-UHFFFAOYSA-N 0 0 370.320 5.103 20 30 FKEDRN Cc1ccccc1-c1ccc(Cl)c(C(=O)N2CCC(CC#N)CC2)c1 ZINC000556667956 568443910 /nfs/dbraw/zinc/44/39/10/568443910.db2.gz MJWPRNGYVUXLOP-UHFFFAOYSA-N 0 0 352.865 5.081 20 30 FKEDRN N#CCC1CCN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 ZINC000556734531 568444407 /nfs/dbraw/zinc/44/44/07/568444407.db2.gz RZLTWBWXELJGDH-UHFFFAOYSA-N 0 0 353.853 5.165 20 30 FKEDRN CC(C)(C)c1cc(C#N)c(NC(=O)c2cccc([C@H]3CCCOC3)c2)s1 ZINC000556807099 568444973 /nfs/dbraw/zinc/44/49/73/568444973.db2.gz OJFLWBUZVBQWBR-INIZCTEOSA-N 0 0 368.502 5.064 20 30 FKEDRN CC(C)(C)c1cc(C#N)c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)s1 ZINC000556807100 568445021 /nfs/dbraw/zinc/44/50/21/568445021.db2.gz OJFLWBUZVBQWBR-MRXNPFEDSA-N 0 0 368.502 5.064 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ncc(-c2ccccc2C)o1 ZINC000556839900 568445408 /nfs/dbraw/zinc/44/54/08/568445408.db2.gz JJOSQRCHRXJCBL-UHFFFAOYSA-N 0 0 364.493 5.006 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC=C(c2ccccc2)C1 ZINC000556866813 568445846 /nfs/dbraw/zinc/44/58/46/568445846.db2.gz NFYSPOVZSZEUHV-UHFFFAOYSA-N 0 0 358.466 5.011 20 30 FKEDRN C=CCC[C@H](NCc1cccc(OC)c1OC1CCCC1)c1ccco1 ZINC000556873006 568445968 /nfs/dbraw/zinc/44/59/68/568445968.db2.gz UEAREXVKJHXWST-IBGZPJMESA-N 0 0 355.478 5.407 20 30 FKEDRN C=CCC[C@@H](NCc1cccc(OC)c1OC1CCCC1)c1ccco1 ZINC000556873007 568445925 /nfs/dbraw/zinc/44/59/25/568445925.db2.gz UEAREXVKJHXWST-LJQANCHMSA-N 0 0 355.478 5.407 20 30 FKEDRN CN(C(=O)c1cc(C#N)ccc1Cl)C1c2ccccc2-c2ccccc21 ZINC000556876339 568446124 /nfs/dbraw/zinc/44/61/24/568446124.db2.gz BDXSGDIDSBRQCB-UHFFFAOYSA-N 0 0 358.828 5.054 20 30 FKEDRN C=CCC[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 ZINC000556876817 568446118 /nfs/dbraw/zinc/44/61/18/568446118.db2.gz FDPWIRFOVHDGMD-HNNXBMFYSA-N 0 0 354.328 5.004 20 30 FKEDRN C=CCC[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccco1 ZINC000556876824 568446103 /nfs/dbraw/zinc/44/61/03/568446103.db2.gz 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ZINC000556910200 568447068 /nfs/dbraw/zinc/44/70/68/568447068.db2.gz XABGAKXBTSZDKU-UHFFFAOYSA-N 0 0 373.840 5.022 20 30 FKEDRN C[C@H](C#N)CN(Cc1nc(-c2cc(Cl)ccc2Cl)cs1)C1CC1 ZINC000556915259 568447345 /nfs/dbraw/zinc/44/73/45/568447345.db2.gz GMBROIUFLGPXCU-LLVKDONJSA-N 0 0 366.317 5.241 20 30 FKEDRN C[C@@H](C#N)CN(Cc1nc(-c2cc(Cl)ccc2Cl)cs1)C1CC1 ZINC000556915262 568447295 /nfs/dbraw/zinc/44/72/95/568447295.db2.gz GMBROIUFLGPXCU-NSHDSACASA-N 0 0 366.317 5.241 20 30 FKEDRN C=CCOc1ccc(CN[C@H](c2cc3ccccc3o2)c2cccnc2)cc1 ZINC000556916034 568447449 /nfs/dbraw/zinc/44/74/49/568447449.db2.gz VCOJPOPOFRSMNQ-DEOSSOPVSA-N 0 0 370.452 5.272 20 30 FKEDRN C=CCOc1ccc(CN[C@@H](c2cc3ccccc3o2)c2cccnc2)cc1 ZINC000556916035 568447518 /nfs/dbraw/zinc/44/75/18/568447518.db2.gz VCOJPOPOFRSMNQ-XMMPIXPASA-N 0 0 370.452 5.272 20 30 FKEDRN N#Cc1ccc(Cl)c(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c1 ZINC000556949706 568448751 /nfs/dbraw/zinc/44/87/51/568448751.db2.gz AUBAOSGOSDEISQ-UHFFFAOYSA-N 0 0 374.827 5.066 20 30 FKEDRN C[C@@H](NC(=O)c1sccc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000556963020 568448996 /nfs/dbraw/zinc/44/89/96/568448996.db2.gz HINWDSWWFFVSMW-CYBMUJFWSA-N 0 0 366.873 5.431 20 30 FKEDRN C[C@H](NC(=O)c1sccc1Cl)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000556963021 568448975 /nfs/dbraw/zinc/44/89/75/568448975.db2.gz HINWDSWWFFVSMW-ZDUSSCGKSA-N 0 0 366.873 5.431 20 30 FKEDRN C=CCn1c(SCc2ccc(CC)cn2)nnc1-c1ccc(Cl)cc1 ZINC000556978041 568449353 /nfs/dbraw/zinc/44/93/53/568449353.db2.gz JDBKKHAFJFSHDO-UHFFFAOYSA-N 0 0 370.909 5.034 20 30 FKEDRN Cc1oc(C(C)C)nc1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000556981381 568449455 /nfs/dbraw/zinc/44/94/55/568449455.db2.gz CAEANAGMQYASDV-UHFFFAOYSA-N 0 0 361.401 5.023 20 30 FKEDRN N#Cc1cc(NC(=O)c2sccc2Cl)ccc1Oc1ccccc1 ZINC000556982933 568449726 /nfs/dbraw/zinc/44/97/26/568449726.db2.gz XOAHUFOTNFCMGG-UHFFFAOYSA-N 0 0 354.818 5.318 20 30 FKEDRN CCC(C)(C)OCc1ccccc1NC(=O)c1cc(C#N)ccc1Cl ZINC000556983920 568449754 /nfs/dbraw/zinc/44/97/54/568449754.db2.gz 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CC(C)(C#N)c1ccc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1 ZINC000557145054 568443248 /nfs/dbraw/zinc/44/32/48/568443248.db2.gz YNOVTGWDDHUHEX-UHFFFAOYSA-N 0 0 371.412 5.287 20 30 FKEDRN Cc1cc(C)cc(NC(=O)CNc2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000557151824 568443655 /nfs/dbraw/zinc/44/36/55/568443655.db2.gz MKFIFIYXXQNMMU-UHFFFAOYSA-N 0 0 371.440 5.018 20 30 FKEDRN N#Cc1ccc(F)c(CSCc2cccc(OCC(F)(F)F)c2)c1 ZINC000557202340 568455505 /nfs/dbraw/zinc/45/55/05/568455505.db2.gz AULKFHGYDRQWGY-UHFFFAOYSA-N 0 0 355.356 5.072 20 30 FKEDRN N#CCc1ccc(C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000557294646 568457395 /nfs/dbraw/zinc/45/73/95/568457395.db2.gz YTIPUAMRPXQZAK-UHFFFAOYSA-N 0 0 373.283 5.079 20 30 FKEDRN C=CCn1c(S[C@H](CCOC)c2ccccc2)nnc1-c1cccs1 ZINC000557346252 568458414 /nfs/dbraw/zinc/45/84/14/568458414.db2.gz YQNGBPDQQOSBNR-MRXNPFEDSA-N 0 0 371.531 5.063 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCC[C@@H]2CCCc2ccccc2)cc1 ZINC000557356554 568449842 /nfs/dbraw/zinc/44/98/42/568449842.db2.gz YMAPEBNZNCMBMG-JOCHJYFZSA-N 0 0 361.489 5.162 20 30 FKEDRN N#CCc1ccc(NC(=O)N2CCCC[C@H]2CCCc2ccccc2)cc1 ZINC000557356560 568449876 /nfs/dbraw/zinc/44/98/76/568449876.db2.gz YMAPEBNZNCMBMG-QFIPXVFZSA-N 0 0 361.489 5.162 20 30 FKEDRN CC(C)(C#N)c1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)cc1 ZINC000557420074 568451296 /nfs/dbraw/zinc/45/12/96/568451296.db2.gz PPKCNGGAKHJQRI-DEOSSOPVSA-N 0 0 360.501 5.072 20 30 FKEDRN CC(C)(C#N)c1ccc(C(=O)N2CCC[C@@](C)(c3ccccc3)CC2)cc1 ZINC000557420080 568451290 /nfs/dbraw/zinc/45/12/90/568451290.db2.gz PPKCNGGAKHJQRI-XMMPIXPASA-N 0 0 360.501 5.072 20 30 FKEDRN N#Cc1cccc(CNc2ccccc2C(=O)Nc2cccc(Cl)c2)c1 ZINC000557432290 568451542 /nfs/dbraw/zinc/45/15/42/568451542.db2.gz NIDQWQHYTLNRLV-UHFFFAOYSA-N 0 0 361.832 5.076 20 30 FKEDRN N#CC[C@H](CC(=O)NC1(Cc2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000557436045 568451600 /nfs/dbraw/zinc/45/16/00/568451600.db2.gz MNIODSLMPPMWQM-LJQANCHMSA-N 0 0 366.892 5.009 20 30 FKEDRN C[C@@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc(F)c1F ZINC000557444827 568451795 /nfs/dbraw/zinc/45/17/95/568451795.db2.gz LZYXERSZHKMGFH-MRVPVSSYSA-N 0 0 351.265 5.113 20 30 FKEDRN C[C@H](NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc(F)c1F ZINC000557444833 568451736 /nfs/dbraw/zinc/45/17/36/568451736.db2.gz LZYXERSZHKMGFH-QMMMGPOBSA-N 0 0 351.265 5.113 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000557521712 568453963 /nfs/dbraw/zinc/45/39/63/568453963.db2.gz LGBPSNJEAMFBNB-KBPBESRZSA-N 0 0 373.909 5.474 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000557521713 568453837 /nfs/dbraw/zinc/45/38/37/568453837.db2.gz LGBPSNJEAMFBNB-KGLIPLIRSA-N 0 0 373.909 5.474 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000557528224 568454102 /nfs/dbraw/zinc/45/41/02/568454102.db2.gz LBTDLBZIVOECMT-FVQBIDKESA-N 0 0 370.905 5.334 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000557528226 568454182 /nfs/dbraw/zinc/45/41/82/568454182.db2.gz LBTDLBZIVOECMT-KBMXLJTQSA-N 0 0 370.905 5.334 20 30 FKEDRN Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc(C#N)n1 ZINC000557579726 568455267 /nfs/dbraw/zinc/45/52/67/568455267.db2.gz IEANKEDYXZTENS-FQEVSTJZSA-N 0 0 372.472 5.382 20 30 FKEDRN Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)cc(C#N)n1 ZINC000557579727 568455186 /nfs/dbraw/zinc/45/51/86/568455186.db2.gz IEANKEDYXZTENS-HXUWFJFHSA-N 0 0 372.472 5.382 20 30 FKEDRN C[C@H](CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccccc1 ZINC000557582360 568455350 /nfs/dbraw/zinc/45/53/50/568455350.db2.gz NHAZGOUYWSDVRR-DLBZAZTESA-N 0 0 367.518 5.254 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@@H](C)c1ccccc1 ZINC000557582361 568455274 /nfs/dbraw/zinc/45/52/74/568455274.db2.gz NHAZGOUYWSDVRR-IAGOWNOFSA-N 0 0 367.518 5.254 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[C@H](C)c1ccccc1 ZINC000557582362 568455370 /nfs/dbraw/zinc/45/53/70/568455370.db2.gz NHAZGOUYWSDVRR-IRXDYDNUSA-N 0 0 367.518 5.254 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)NCC[C@H](C)c1ccccc1 ZINC000557582363 568455329 /nfs/dbraw/zinc/45/53/29/568455329.db2.gz NHAZGOUYWSDVRR-SJORKVTESA-N 0 0 367.518 5.254 20 30 FKEDRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)Nc1cc(C#N)ccn1 ZINC000557584580 568455366 /nfs/dbraw/zinc/45/53/66/568455366.db2.gz UKRHMVRKLBEFGD-LLVKDONJSA-N 0 0 354.866 5.212 20 30 FKEDRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)Nc1cc(C#N)ccn1 ZINC000557584585 568455302 /nfs/dbraw/zinc/45/53/02/568455302.db2.gz UKRHMVRKLBEFGD-NSHDSACASA-N 0 0 354.866 5.212 20 30 FKEDRN Cc1nc(C2CCCCC2)sc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000557585863 568455313 /nfs/dbraw/zinc/45/53/13/568455313.db2.gz SPGKGXAJTHIBSC-UHFFFAOYSA-N 0 0 371.481 5.199 20 30 FKEDRN N#CCCN(C(=O)c1ccc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000557585918 568455285 /nfs/dbraw/zinc/45/52/85/568455285.db2.gz UUEGLGBETIDJCA-UHFFFAOYSA-N 0 0 370.733 5.058 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2cc(F)ccc2s1 ZINC000557609434 568456046 /nfs/dbraw/zinc/45/60/46/568456046.db2.gz VDJKGROXQLNKNQ-UHFFFAOYSA-N 0 0 371.481 5.036 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(Cl)sc1Cl ZINC000557609809 568456080 /nfs/dbraw/zinc/45/60/80/568456080.db2.gz OWVBQTSODPYCOC-UHFFFAOYSA-N 0 0 372.321 5.051 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CCCc1ccc(Cl)cc1 ZINC000557612071 568457308 /nfs/dbraw/zinc/45/73/08/568457308.db2.gz UJRFXCGBKOKJFX-UHFFFAOYSA-N 0 0 373.928 5.045 20 30 FKEDRN C=CCC[C@@H](C(=O)N(CC(=C)C)Cc1cnn(C(C)C)c1)c1ccccc1 ZINC000557612120 568457316 /nfs/dbraw/zinc/45/73/16/568457316.db2.gz USSMAMVRZJYBFZ-JOCHJYFZSA-N 0 0 365.521 5.119 20 30 FKEDRN C=CCC[C@H](C(=O)N(CC(=C)C)Cc1cnn(C(C)C)c1)c1ccccc1 ZINC000557612121 568457343 /nfs/dbraw/zinc/45/73/43/568457343.db2.gz USSMAMVRZJYBFZ-QFIPXVFZSA-N 0 0 365.521 5.119 20 30 FKEDRN C[C@H](C(=O)N(Cc1ccccc1)c1ccccc1C#N)c1ccccc1F ZINC000557699666 568459634 /nfs/dbraw/zinc/45/96/34/568459634.db2.gz HCPYDJXPRQZLLX-KRWDZBQOSA-N 0 0 358.416 5.034 20 30 FKEDRN N#Cc1cccc(Oc2ccc(NC(=O)NC3(c4ccccc4)CC3)cc2)c1 ZINC000557727587 568459968 /nfs/dbraw/zinc/45/99/68/568459968.db2.gz 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568461326 /nfs/dbraw/zinc/46/13/26/568461326.db2.gz XYKBYGMSAGDXQG-LJQANCHMSA-N 0 0 374.843 5.431 20 30 FKEDRN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000557818541 568461618 /nfs/dbraw/zinc/46/16/18/568461618.db2.gz KRGIYICWBBUFAJ-HNNXBMFYSA-N 0 0 358.894 5.010 20 30 FKEDRN CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000557818546 568461589 /nfs/dbraw/zinc/46/15/89/568461589.db2.gz KRGIYICWBBUFAJ-OAHLLOKOSA-N 0 0 358.894 5.010 20 30 FKEDRN N#CCC1CCN(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)CC1 ZINC000557896461 568463140 /nfs/dbraw/zinc/46/31/40/568463140.db2.gz RFJHYHWZPJIURL-UHFFFAOYSA-N 0 0 369.852 5.290 20 30 FKEDRN C[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(F)c2ccccc21 ZINC000557942522 568464399 /nfs/dbraw/zinc/46/43/99/568464399.db2.gz BQLBFWXOFCVHQH-HNNXBMFYSA-N 0 0 358.416 5.025 20 30 FKEDRN C[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(F)c2ccccc21 ZINC000557942523 568464385 /nfs/dbraw/zinc/46/43/85/568464385.db2.gz BQLBFWXOFCVHQH-OAHLLOKOSA-N 0 0 358.416 5.025 20 30 FKEDRN Cc1cccc(-c2cnc(NC(=O)C[C@H](CC#N)c3ccccc3)s2)c1 ZINC000558006816 568466428 /nfs/dbraw/zinc/46/64/28/568466428.db2.gz WXZZHRLBHYYLES-KRWDZBQOSA-N 0 0 361.470 5.145 20 30 FKEDRN Cc1cccc(-c2cnc(NC(=O)C[C@@H](CC#N)c3ccccc3)s2)c1 ZINC000558006818 568466423 /nfs/dbraw/zinc/46/64/23/568466423.db2.gz WXZZHRLBHYYLES-QGZVFWFLSA-N 0 0 361.470 5.145 20 30 FKEDRN Cc1cc(-c2noc(/C=C/c3cn(CCC#N)c4ccccc34)n2)ccc1F ZINC000558008338 568458598 /nfs/dbraw/zinc/45/85/98/568458598.db2.gz QKEHTQQAJWXFAQ-CSKARUKUSA-N 0 0 372.403 5.223 20 30 FKEDRN Cc1cc(-c2noc(/C=C\c3cn(CCC#N)c4ccccc34)n2)ccc1F ZINC000558008341 568458653 /nfs/dbraw/zinc/45/86/53/568458653.db2.gz QKEHTQQAJWXFAQ-NTMALXAHSA-N 0 0 372.403 5.223 20 30 FKEDRN C=CCCC1(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000558011624 568458595 /nfs/dbraw/zinc/45/85/95/568458595.db2.gz KPNDMQVQAVTXBB-UHFFFAOYSA-N 0 0 367.411 5.038 20 30 FKEDRN Cc1c(C(=O)N(CCC#N)c2ccc(F)cc2)sc2cccc(F)c12 ZINC000558049063 568459622 /nfs/dbraw/zinc/45/96/22/568459622.db2.gz SWWARWVUHAQNRG-UHFFFAOYSA-N 0 0 356.397 5.048 20 30 FKEDRN C[C@H]([NH2+]C1(c2ccc(Br)cc2)CCC1)c1ccc(C#N)cc1 ZINC000558062526 568461914 /nfs/dbraw/zinc/46/19/14/568461914.db2.gz YNMZZPLOYHDCLT-AWEZNQCLSA-N 0 0 355.279 5.051 20 30 FKEDRN C[C@@H]([NH2+]C1(c2ccc(Br)cc2)CCC1)c1ccc(C#N)cc1 ZINC000558062534 568461838 /nfs/dbraw/zinc/46/18/38/568461838.db2.gz YNMZZPLOYHDCLT-CQSZACIVSA-N 0 0 355.279 5.051 20 30 FKEDRN CCc1cccc2c(OCCCC3(C#N)CCOCC3)cc(C(C)C)nc12 ZINC000558062991 568462070 /nfs/dbraw/zinc/46/20/70/568462070.db2.gz XFGOPVPUCFZETE-UHFFFAOYSA-N 0 0 366.505 5.400 20 30 FKEDRN Cc1c2ccc(F)cc2sc1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000558066531 568462316 /nfs/dbraw/zinc/46/23/16/568462316.db2.gz XETOSEJHFBVWCY-UHFFFAOYSA-N 0 0 368.433 5.260 20 30 FKEDRN N#CCc1ccc(Oc2ccc(C(=O)N(C3CCC3)C3CCC3)cc2)cc1 ZINC000558068627 568462966 /nfs/dbraw/zinc/46/29/66/568462966.db2.gz YASVFHCTYVBRFY-UHFFFAOYSA-N 0 0 360.457 5.092 20 30 FKEDRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 ZINC000558083087 568465917 /nfs/dbraw/zinc/46/59/17/568465917.db2.gz CBEFGYAMYJYZQK-DLBZAZTESA-N 0 0 366.530 5.812 20 30 FKEDRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 ZINC000558083088 568465858 /nfs/dbraw/zinc/46/58/58/568465858.db2.gz CBEFGYAMYJYZQK-IAGOWNOFSA-N 0 0 366.530 5.812 20 30 FKEDRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 ZINC000558083090 568465867 /nfs/dbraw/zinc/46/58/67/568465867.db2.gz CBEFGYAMYJYZQK-IRXDYDNUSA-N 0 0 366.530 5.812 20 30 FKEDRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)S[C@H](C)c1ccc(C#N)cc1 ZINC000558083091 568465912 /nfs/dbraw/zinc/46/59/12/568465912.db2.gz CBEFGYAMYJYZQK-SJORKVTESA-N 0 0 366.530 5.812 20 30 FKEDRN COc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 ZINC000558084307 568466032 /nfs/dbraw/zinc/46/60/32/568466032.db2.gz HRCUANPCCJUXAE-STQMWFEESA-N 0 0 374.893 5.042 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000558104131 568471748 /nfs/dbraw/zinc/47/17/48/568471748.db2.gz GKQSKZOTECCXAG-HNNXBMFYSA-N 0 0 362.926 5.034 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000558104138 568471743 /nfs/dbraw/zinc/47/17/43/568471743.db2.gz GKQSKZOTECCXAG-OAHLLOKOSA-N 0 0 362.926 5.034 20 30 FKEDRN C=CC[C@@H](C)NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000558121550 568472148 /nfs/dbraw/zinc/47/21/48/568472148.db2.gz ILXQXKXXEKDPJB-GFCCVEGCSA-N 0 0 351.343 5.206 20 30 FKEDRN C=CC[C@H](C)NC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000558121554 568472193 /nfs/dbraw/zinc/47/21/93/568472193.db2.gz ILXQXKXXEKDPJB-LBPRGKRZSA-N 0 0 351.343 5.206 20 30 FKEDRN N#Cc1cc(F)ccc1NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000558141682 568472415 /nfs/dbraw/zinc/47/24/15/568472415.db2.gz QYNHLOUAXKYWRF-UHFFFAOYSA-N 0 0 367.383 5.165 20 30 FKEDRN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3Nc1cccc(OCCCC#N)c1 ZINC000558157109 568472700 /nfs/dbraw/zinc/47/27/00/568472700.db2.gz MNRWJGQRPXOOHQ-JOCHJYFZSA-N 0 0 359.473 5.648 20 30 FKEDRN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3Nc1cccc(OCCCC#N)c1 ZINC000558157110 568472714 /nfs/dbraw/zinc/47/27/14/568472714.db2.gz MNRWJGQRPXOOHQ-QFIPXVFZSA-N 0 0 359.473 5.648 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000558171687 568472992 /nfs/dbraw/zinc/47/29/92/568472992.db2.gz CELUTOGCJXFBER-UHFFFAOYSA-N 0 0 359.473 5.036 20 30 FKEDRN N#C[C@@H](C(=O)c1cc[nH]c1C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000558179851 568473129 /nfs/dbraw/zinc/47/31/29/568473129.db2.gz ANMWHQDSLFHEMB-HNNXBMFYSA-N 0 0 367.861 5.159 20 30 FKEDRN N#C[C@H](C(=O)c1cc[nH]c1C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000558179852 568473100 /nfs/dbraw/zinc/47/31/00/568473100.db2.gz ANMWHQDSLFHEMB-OAHLLOKOSA-N 0 0 367.861 5.159 20 30 FKEDRN Cc1cc(C)c(C[C@H](C(=O)Nc2ccccc2CC#N)C(F)(F)F)c(C)c1 ZINC000558190647 568473336 /nfs/dbraw/zinc/47/33/36/568473336.db2.gz XOLAUMNARWOMPT-GOSISDBHSA-N 0 0 374.406 5.038 20 30 FKEDRN Cc1cc(C)c(C[C@@H](C(=O)Nc2ccccc2CC#N)C(F)(F)F)c(C)c1 ZINC000558190648 568473330 /nfs/dbraw/zinc/47/33/30/568473330.db2.gz XOLAUMNARWOMPT-SFHVURJKSA-N 0 0 374.406 5.038 20 30 FKEDRN Cc1ccc(Oc2ccccc2)c(NCCCC2(C#N)CCOCC2)c1 ZINC000558193978 568473365 /nfs/dbraw/zinc/47/33/65/568473365.db2.gz BLXSHUNLZVJNSI-UHFFFAOYSA-N 0 0 350.462 5.300 20 30 FKEDRN N#CC1(CCCNc2ccccc2-c2c(F)cccc2F)CCOCC1 ZINC000558194665 568473343 /nfs/dbraw/zinc/47/33/43/568473343.db2.gz HKSPEIDYPAOOPV-UHFFFAOYSA-N 0 0 356.416 5.144 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000558208528 568473473 /nfs/dbraw/zinc/47/34/73/568473473.db2.gz BKHHYOXBGQNCNF-FOIQADDNSA-N 0 0 350.462 5.182 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000558208530 568473422 /nfs/dbraw/zinc/47/34/22/568473422.db2.gz BKHHYOXBGQNCNF-MGPUTAFESA-N 0 0 350.462 5.182 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000558208534 568473465 /nfs/dbraw/zinc/47/34/65/568473465.db2.gz BKHHYOXBGQNCNF-QRWLVFNGSA-N 0 0 350.462 5.182 20 30 FKEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC000558208537 568473443 /nfs/dbraw/zinc/47/34/43/568473443.db2.gz BKHHYOXBGQNCNF-YWZLYKJASA-N 0 0 350.462 5.182 20 30 FKEDRN C=CCCc1ccccc1NC(=O)N(C)[C@@H](CC)c1cccc(OC)c1 ZINC000558211153 568473606 /nfs/dbraw/zinc/47/36/06/568473606.db2.gz SLTBKBLXXLCYLQ-NRFANRHFSA-N 0 0 352.478 5.429 20 30 FKEDRN C=CCCc1ccccc1NC(=O)N(C)[C@H](CC)c1cccc(OC)c1 ZINC000558211159 568473634 /nfs/dbraw/zinc/47/36/34/568473634.db2.gz SLTBKBLXXLCYLQ-OAQYLSRUSA-N 0 0 352.478 5.429 20 30 FKEDRN Cc1ccc(Oc2ccccc2NC(=O)NCC(C)(C)CCC#N)cc1 ZINC000558222539 568473867 /nfs/dbraw/zinc/47/38/67/568473867.db2.gz PPXLKBNFPAEEBL-UHFFFAOYSA-N 0 0 351.450 5.239 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1c(CC)cccc1CC ZINC000558229121 568474111 /nfs/dbraw/zinc/47/41/11/568474111.db2.gz WGWLMRBICBUCBT-UHFFFAOYSA-N 0 0 368.525 5.199 20 30 FKEDRN Cc1csc(NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)c1C#N ZINC000558243402 568474580 /nfs/dbraw/zinc/47/45/80/568474580.db2.gz BFKLVYLTARMRAU-JTQLQIEISA-N 0 0 352.381 5.079 20 30 FKEDRN Cc1csc(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)c1C#N ZINC000558243403 568474666 /nfs/dbraw/zinc/47/46/66/568474666.db2.gz BFKLVYLTARMRAU-SNVBAGLBSA-N 0 0 352.381 5.079 20 30 FKEDRN Cc1csc(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)c1C#N ZINC000558243454 568474639 /nfs/dbraw/zinc/47/46/39/568474639.db2.gz DQTSLSRIGAEBNW-UHFFFAOYSA-N 0 0 367.861 5.260 20 30 FKEDRN N#Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)nc2ccccc12 ZINC000558248542 568474946 /nfs/dbraw/zinc/47/49/46/568474946.db2.gz XDGBIGKMQUIUBP-UHFFFAOYSA-N 0 0 374.403 5.060 20 30 FKEDRN CC(C)(CCC#N)CNC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000558248867 568475008 /nfs/dbraw/zinc/47/50/08/568475008.db2.gz UNZIUQVGZZWQLL-UHFFFAOYSA-N 0 0 371.868 5.584 20 30 FKEDRN CC(F)(F)c1cccc(NCc2ccc(Br)cc2C#N)c1 ZINC000558261915 568467316 /nfs/dbraw/zinc/46/73/16/568467316.db2.gz PGOMNLWPZDIMEW-UHFFFAOYSA-N 0 0 351.194 5.045 20 30 FKEDRN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(CCCCC)cc1 ZINC000558269370 568467452 /nfs/dbraw/zinc/46/74/52/568467452.db2.gz PSIJZRUTHYFNQZ-UHFFFAOYSA-N 0 0 370.493 5.115 20 30 FKEDRN CC(C)(C#N)c1ccc(NC(=O)N2CC(C)(C)[C@@H]2c2cccs2)cc1 ZINC000558277226 568467689 /nfs/dbraw/zinc/46/76/89/568467689.db2.gz HWPGXIYTZOZBDX-KRWDZBQOSA-N 0 0 353.491 5.164 20 30 FKEDRN CC(C)(C#N)c1ccc(NC(=O)N2CC(C)(C)[C@H]2c2cccs2)cc1 ZINC000558277227 568467646 /nfs/dbraw/zinc/46/76/46/568467646.db2.gz HWPGXIYTZOZBDX-QGZVFWFLSA-N 0 0 353.491 5.164 20 30 FKEDRN CN(C(=O)c1cc(C#N)ccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000558294446 568468019 /nfs/dbraw/zinc/46/80/19/568468019.db2.gz VVMVQDJKKSZQKA-UHFFFAOYSA-N 0 0 373.161 5.160 20 30 FKEDRN C=C(C)C[C@H](C)c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 ZINC000558298732 568468383 /nfs/dbraw/zinc/46/83/83/568468383.db2.gz STUNROSJLBLQFP-AWEZNQCLSA-N 0 0 365.408 5.198 20 30 FKEDRN C=C(C)C[C@@H](C)c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 ZINC000558298733 568468395 /nfs/dbraw/zinc/46/83/95/568468395.db2.gz STUNROSJLBLQFP-CQSZACIVSA-N 0 0 365.408 5.198 20 30 FKEDRN Fc1cc(-c2noc([C@@H]3CC[C@H](C(F)(F)F)C3)n2)ccc1C(F)(F)F ZINC000558301234 568468377 /nfs/dbraw/zinc/46/83/77/568468377.db2.gz IUIULEOTLCBHMY-BDAKNGLRSA-N 0 0 368.252 5.341 20 30 FKEDRN Fc1cc(-c2noc([C@H]3CC[C@@H](C(F)(F)F)C3)n2)ccc1C(F)(F)F ZINC000558301235 568468370 /nfs/dbraw/zinc/46/83/70/568468370.db2.gz IUIULEOTLCBHMY-DTWKUNHWSA-N 0 0 368.252 5.341 20 30 FKEDRN Fc1cc(-c2noc([C@H]3CC[C@H](C(F)(F)F)C3)n2)ccc1C(F)(F)F ZINC000558301237 568468385 /nfs/dbraw/zinc/46/83/85/568468385.db2.gz IUIULEOTLCBHMY-IUCAKERBSA-N 0 0 368.252 5.341 20 30 FKEDRN Fc1cc(-c2noc([C@@H]3CC[C@@H](C(F)(F)F)C3)n2)ccc1C(F)(F)F ZINC000558301239 568468380 /nfs/dbraw/zinc/46/83/80/568468380.db2.gz IUIULEOTLCBHMY-RKDXNWHRSA-N 0 0 368.252 5.341 20 30 FKEDRN Cc1csc(Sc2ccc(NC(=O)NCC(C)(C)CCC#N)cc2)n1 ZINC000558318545 568469745 /nfs/dbraw/zinc/46/97/45/568469745.db2.gz NIZLGPUWMCDQAH-UHFFFAOYSA-N 0 0 374.535 5.054 20 30 FKEDRN C=C(C)COc1cccc(NC(=O)Nc2cnn(CC(C)C)c2C2CC2)c1 ZINC000558324940 568470486 /nfs/dbraw/zinc/47/04/86/568470486.db2.gz ZJPPTXYKWIYDQB-UHFFFAOYSA-N 0 0 368.481 5.015 20 30 FKEDRN C=C(C)COc1cccc(NC(=O)N2CC(C)(C)[C@H]2c2cccs2)c1 ZINC000558326325 568470470 /nfs/dbraw/zinc/47/04/70/568470470.db2.gz PWJGBLFBNITHDJ-GOSISDBHSA-N 0 0 356.491 5.318 20 30 FKEDRN C=C(C)COc1cccc(NC(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000558326327 568470480 /nfs/dbraw/zinc/47/04/80/568470480.db2.gz PWJGBLFBNITHDJ-SFHVURJKSA-N 0 0 356.491 5.318 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(SCC)c1 ZINC000558334147 568470829 /nfs/dbraw/zinc/47/08/29/568470829.db2.gz FPYVXXRSFGDAET-UHFFFAOYSA-N 0 0 372.538 5.186 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000558340017 568471201 /nfs/dbraw/zinc/47/12/01/568471201.db2.gz BWJWJNDDPQJCQL-BBWFWOEESA-N 0 0 373.566 5.759 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000558340026 568471212 /nfs/dbraw/zinc/47/12/12/568471212.db2.gz BWJWJNDDPQJCQL-BRWVUGGUSA-N 0 0 373.566 5.759 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000558340030 568471224 /nfs/dbraw/zinc/47/12/24/568471224.db2.gz BWJWJNDDPQJCQL-GVDBMIGSSA-N 0 0 373.566 5.759 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000558340036 568471142 /nfs/dbraw/zinc/47/11/42/568471142.db2.gz BWJWJNDDPQJCQL-ZACQAIPSSA-N 0 0 373.566 5.759 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000558361535 568479027 /nfs/dbraw/zinc/47/90/27/568479027.db2.gz KRSABCPZRNKKPF-NRFANRHFSA-N 0 0 368.525 5.093 20 30 FKEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](CCC)c1ccccc1 ZINC000558361538 568479084 /nfs/dbraw/zinc/47/90/84/568479084.db2.gz KRSABCPZRNKKPF-OAQYLSRUSA-N 0 0 368.525 5.093 20 30 FKEDRN CC(C)Sc1c(Cl)cccc1NC(=O)NCC(C)(C)CCC#N ZINC000558365477 568479115 /nfs/dbraw/zinc/47/91/15/568479115.db2.gz XOIABFBKEGATBU-UHFFFAOYSA-N 0 0 353.919 5.292 20 30 FKEDRN Cc1ccc(SCC(F)(F)F)c(NC(=O)NCC(C)(C)CCC#N)c1 ZINC000558377739 568479361 /nfs/dbraw/zinc/47/93/61/568479361.db2.gz WNZNYLYNTFHKKA-UHFFFAOYSA-N 0 0 373.444 5.101 20 30 FKEDRN N#CCCN(C(=O)c1cccc(OC2CCCCC2)c1)c1ccc(F)cc1 ZINC000558411011 568480089 /nfs/dbraw/zinc/48/00/89/568480089.db2.gz DYCRHHQASXPMFK-UHFFFAOYSA-N 0 0 366.436 5.098 20 30 FKEDRN N#CCc1ccc(Oc2ccc(C(=O)N3CCC4(CCCC4)CC3)cc2)cc1 ZINC000558413737 568480137 /nfs/dbraw/zinc/48/01/37/568480137.db2.gz OWNIIVAFKAJZDE-UHFFFAOYSA-N 0 0 374.484 5.341 20 30 FKEDRN Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000558457840 568480743 /nfs/dbraw/zinc/48/07/43/568480743.db2.gz CSGPUEAXHINAAB-NRFANRHFSA-N 0 0 364.489 5.049 20 30 FKEDRN Cc1ccc(C(C)C)cc1OCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000558457841 568480716 /nfs/dbraw/zinc/48/07/16/568480716.db2.gz CSGPUEAXHINAAB-OAQYLSRUSA-N 0 0 364.489 5.049 20 30 FKEDRN O=C(Nc1ccc(C(F)(F)F)cc1)c1c(F)cc(C(F)(F)F)cc1F ZINC000558475313 568480979 /nfs/dbraw/zinc/48/09/79/568480979.db2.gz GIMUOMGVCKORMY-UHFFFAOYSA-N 0 0 369.211 5.255 20 30 FKEDRN N#Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)c(C(F)(F)F)c1 ZINC000558483606 568481171 /nfs/dbraw/zinc/48/11/71/568481171.db2.gz WDSAIILCZVUWGP-INIZCTEOSA-N 0 0 366.383 5.043 20 30 FKEDRN N#Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c(C(F)(F)F)c1 ZINC000558483607 568481107 /nfs/dbraw/zinc/48/11/07/568481107.db2.gz WDSAIILCZVUWGP-MRXNPFEDSA-N 0 0 366.383 5.043 20 30 FKEDRN N#Cc1cc(Oc2ccc(NCc3ccc(F)cc3Cl)cc2)ccn1 ZINC000558494126 568481269 /nfs/dbraw/zinc/48/12/69/568481269.db2.gz ZKUSWLFONZMTCB-UHFFFAOYSA-N 0 0 353.784 5.150 20 30 FKEDRN N#Cc1cc(Oc2ccc(NCc3cc(F)cc(Cl)c3)cc2)ccn1 ZINC000558494197 568481201 /nfs/dbraw/zinc/48/12/01/568481201.db2.gz GGFLAIZHZRPWRA-UHFFFAOYSA-N 0 0 353.784 5.150 20 30 FKEDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)c1ccc(C#N)cc1 ZINC000558502052 568481488 /nfs/dbraw/zinc/48/14/88/568481488.db2.gz WCBANXXRQZVJMD-KPZWWZAWSA-N 0 0 361.258 5.262 20 30 FKEDRN CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)c1ccc(C#N)cc1 ZINC000558502054 568481510 /nfs/dbraw/zinc/48/15/10/568481510.db2.gz WCBANXXRQZVJMD-SGTLLEGYSA-N 0 0 361.258 5.262 20 30 FKEDRN FCCC1(c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)CC1 ZINC000558507912 568481719 /nfs/dbraw/zinc/48/17/19/568481719.db2.gz HFWHGLDIZBLGPJ-UHFFFAOYSA-N 0 0 368.252 5.165 20 30 FKEDRN N#CCCCN1C(=O)CCc2cc(NC3CCC4(CCCC4)CC3)ccc21 ZINC000558509715 568481682 /nfs/dbraw/zinc/48/16/82/568481682.db2.gz QUAPHAMHWQDDGM-UHFFFAOYSA-N 0 0 365.521 5.184 20 30 FKEDRN N#Cc1ccc2c(c1)[C@H](NCc1nc(-c3cc4ccccc4o3)cs1)CC2 ZINC000558510014 568481728 /nfs/dbraw/zinc/48/17/28/568481728.db2.gz WKKJBWKIHCRFLU-GOSISDBHSA-N 0 0 371.465 5.205 20 30 FKEDRN N#Cc1ccc2c(c1)[C@@H](NCc1nc(-c3cc4ccccc4o3)cs1)CC2 ZINC000558510017 568481680 /nfs/dbraw/zinc/48/16/80/568481680.db2.gz WKKJBWKIHCRFLU-SFHVURJKSA-N 0 0 371.465 5.205 20 30 FKEDRN Cc1ccsc1-c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 ZINC000558521329 568482090 /nfs/dbraw/zinc/48/20/90/568482090.db2.gz MOVZQRLDSUINNG-FPLPWBNLSA-N 0 0 360.442 5.145 20 30 FKEDRN Cc1ccc2sc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2c1 ZINC000558546632 568482323 /nfs/dbraw/zinc/48/23/23/568482323.db2.gz ALECIALCNSXDNS-MOPGFXCFSA-N 0 0 360.482 5.122 20 30 FKEDRN Cc1ccc2sc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2c1 ZINC000558546636 568482303 /nfs/dbraw/zinc/48/23/03/568482303.db2.gz ALECIALCNSXDNS-OALUTQOASA-N 0 0 360.482 5.122 20 30 FKEDRN Cc1ccc2sc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2c1 ZINC000558546637 568482469 /nfs/dbraw/zinc/48/24/69/568482469.db2.gz ALECIALCNSXDNS-RBUKOAKNSA-N 0 0 360.482 5.122 20 30 FKEDRN Cc1ccc2sc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2c1 ZINC000558546638 568482461 /nfs/dbraw/zinc/48/24/61/568482461.db2.gz ALECIALCNSXDNS-RTBURBONSA-N 0 0 360.482 5.122 20 30 FKEDRN CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc(C3=CCCC3)cc2)s1 ZINC000558555005 568482438 /nfs/dbraw/zinc/48/24/38/568482438.db2.gz VVJDTYDZIAVXJV-KRWDZBQOSA-N 0 0 350.487 5.498 20 30 FKEDRN CC(C)(CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 ZINC000558557716 568482455 /nfs/dbraw/zinc/48/24/55/568482455.db2.gz DHCDODYZJJDTDB-UHFFFAOYSA-N 0 0 371.440 5.052 20 30 FKEDRN C[C@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1C(F)(F)F ZINC000558586101 568482858 /nfs/dbraw/zinc/48/28/58/568482858.db2.gz AQYKYZKKMCURFF-AUUYWEPGSA-N 0 0 366.427 5.178 20 30 FKEDRN C[C@@H](CC(=O)N[C@](C)(C#N)C1CCCCC1)c1ccccc1C(F)(F)F ZINC000558586114 568482924 /nfs/dbraw/zinc/48/29/24/568482924.db2.gz AQYKYZKKMCURFF-IFXJQAMLSA-N 0 0 366.427 5.178 20 30 FKEDRN C[C@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1C(F)(F)F ZINC000558586115 568482877 /nfs/dbraw/zinc/48/28/77/568482877.db2.gz AQYKYZKKMCURFF-KUHUBIRLSA-N 0 0 366.427 5.178 20 30 FKEDRN C[C@@H](CC(=O)N[C@@](C)(C#N)C1CCCCC1)c1ccccc1C(F)(F)F ZINC000558586116 568482897 /nfs/dbraw/zinc/48/28/97/568482897.db2.gz AQYKYZKKMCURFF-LIRRHRJNSA-N 0 0 366.427 5.178 20 30 FKEDRN C[C@@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1F ZINC000558591973 568483028 /nfs/dbraw/zinc/48/30/28/568483028.db2.gz FYIVXEGGVPDJID-CYBMUJFWSA-N 0 0 351.356 5.197 20 30 FKEDRN C[C@H](Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1F ZINC000558591974 568483054 /nfs/dbraw/zinc/48/30/54/568483054.db2.gz FYIVXEGGVPDJID-ZDUSSCGKSA-N 0 0 351.356 5.197 20 30 FKEDRN N#Cc1cc(N[C@H]2c3ccccc3CC23CCOCC3)ccc1C(F)(F)F ZINC000558598876 568483157 /nfs/dbraw/zinc/48/31/57/568483157.db2.gz SKPOXIGDVDBHMB-IBGZPJMESA-N 0 0 372.390 5.083 20 30 FKEDRN N#Cc1cc(N[C@@H]2c3ccccc3CC23CCOCC3)ccc1C(F)(F)F ZINC000558598878 568483112 /nfs/dbraw/zinc/48/31/12/568483112.db2.gz SKPOXIGDVDBHMB-LJQANCHMSA-N 0 0 372.390 5.083 20 30 FKEDRN N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1cnc2ccsc2c1 ZINC000558613643 568483224 /nfs/dbraw/zinc/48/32/24/568483224.db2.gz BOUBWGDYXQAGOW-UHFFFAOYSA-N 0 0 369.449 5.015 20 30 FKEDRN CC(C)CN(C(=O)c1ccc(Oc2ccccc2)cn1)c1ccc(C#N)cc1 ZINC000558653486 568475242 /nfs/dbraw/zinc/47/52/42/568475242.db2.gz WPKOKXDFTYJASE-UHFFFAOYSA-N 0 0 371.440 5.048 20 30 FKEDRN N#Cc1ccc(NC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c(Cl)c1 ZINC000558752674 568476575 /nfs/dbraw/zinc/47/65/75/568476575.db2.gz POBMNQFMCYATFC-BCDXTJNWSA-N 0 0 365.864 5.154 20 30 FKEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C/C=C\c1ccc(Cl)cc1 ZINC000558753966 568476618 /nfs/dbraw/zinc/47/66/18/568476618.db2.gz IBKWEUGSZUIJFP-IHWYPQMZSA-N 0 0 369.251 5.202 20 30 FKEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C/C=C/c1ccc(Cl)cc1 ZINC000558753970 568476662 /nfs/dbraw/zinc/47/66/62/568476662.db2.gz IBKWEUGSZUIJFP-NSCUHMNNSA-N 0 0 369.251 5.202 20 30 FKEDRN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCc1ccc2ccccc2c1 ZINC000558754643 568476680 /nfs/dbraw/zinc/47/66/80/568476680.db2.gz FJUAQBBMLORICS-UHFFFAOYSA-N 0 0 372.855 5.231 20 30 FKEDRN C=CC[C@H]1N(C(=O)Nc2ccc(OC(F)F)cc2F)CCCC1(C)C ZINC000558838201 568478657 /nfs/dbraw/zinc/47/86/57/568478657.db2.gz CVXICPCRMQWKOR-OAHLLOKOSA-N 0 0 356.388 5.026 20 30 FKEDRN C=CCCCCCN(C)C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000558850275 568479049 /nfs/dbraw/zinc/47/90/49/568479049.db2.gz CGDWQJIIVBPRLX-UHFFFAOYSA-N 0 0 351.494 5.191 20 30 FKEDRN C[C@@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccccc1F ZINC000558999945 568483576 /nfs/dbraw/zinc/48/35/76/568483576.db2.gz SEJJITQEEZCIAS-INIZCTEOSA-N 0 0 362.404 5.017 20 30 FKEDRN C[C@H](CC(=O)N(Cc1ccco1)c1ccccc1C#N)c1ccccc1F ZINC000558999946 568483510 /nfs/dbraw/zinc/48/35/10/568483510.db2.gz SEJJITQEEZCIAS-MRXNPFEDSA-N 0 0 362.404 5.017 20 30 FKEDRN C[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(C)(F)F ZINC000559053317 568484075 /nfs/dbraw/zinc/48/40/75/568484075.db2.gz GOTDRDVZNZKGHU-BLLLJJGKSA-N 0 0 362.807 5.225 20 30 FKEDRN C[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(C)(F)F ZINC000559053320 568484136 /nfs/dbraw/zinc/48/41/36/568484136.db2.gz GOTDRDVZNZKGHU-LRDDRELGSA-N 0 0 362.807 5.225 20 30 FKEDRN C[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(C)(F)F ZINC000559053321 568484085 /nfs/dbraw/zinc/48/40/85/568484085.db2.gz GOTDRDVZNZKGHU-MLGOLLRUSA-N 0 0 362.807 5.225 20 30 FKEDRN C[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1)C(C)(F)F ZINC000559053323 568484095 /nfs/dbraw/zinc/48/40/95/568484095.db2.gz GOTDRDVZNZKGHU-WBMJQRKESA-N 0 0 362.807 5.225 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)Cc1cnc(-c2ccccc2)nc1 ZINC000559067537 568484217 /nfs/dbraw/zinc/48/42/17/568484217.db2.gz ANFDWDUQWWVZRJ-UHFFFAOYSA-N 0 0 355.894 5.047 20 30 FKEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000559130648 568485749 /nfs/dbraw/zinc/48/57/49/568485749.db2.gz CZOFDYFGEYVHJW-UHFFFAOYSA-N 0 0 369.943 5.376 20 30 FKEDRN Cc1c(C(=O)N(CC(C)C)c2ccc(C#N)cc2)cccc1-c1ccccn1 ZINC000559178664 568486678 /nfs/dbraw/zinc/48/66/78/568486678.db2.gz JMDPUXPDTFEZKE-UHFFFAOYSA-N 0 0 369.468 5.232 20 30 FKEDRN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1sccc1F ZINC000559184608 568486776 /nfs/dbraw/zinc/48/67/76/568486776.db2.gz FDKASVCKVQRLJV-UHFFFAOYSA-N 0 0 352.390 5.112 20 30 FKEDRN N#Cc1cccc(C[S@](=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000559232265 568487432 /nfs/dbraw/zinc/48/74/32/568487432.db2.gz WEXSVEWSTXVFCI-BWKNWUBXSA-N 0 0 365.885 5.250 20 30 FKEDRN N#Cc1cccc(C[S@@](=O)[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000559232267 568487482 /nfs/dbraw/zinc/48/74/82/568487482.db2.gz WEXSVEWSTXVFCI-PXDATVDWSA-N 0 0 365.885 5.250 20 30 FKEDRN N#Cc1cccc(C[S@@](=O)[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000559232268 568487500 /nfs/dbraw/zinc/48/75/00/568487500.db2.gz WEXSVEWSTXVFCI-SQJMNOBHSA-N 0 0 365.885 5.250 20 30 FKEDRN N#Cc1ccccc1-c1ccccc1C(=O)Nc1nc(-c2ccccc2)co1 ZINC000559237379 568487578 /nfs/dbraw/zinc/48/75/78/568487578.db2.gz IFBSBFIFVBNXLJ-UHFFFAOYSA-N 0 0 365.392 5.133 20 30 FKEDRN N#CCc1ccccc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000559245837 568489472 /nfs/dbraw/zinc/48/94/72/568489472.db2.gz PACGFVDLNVRIAS-UHFFFAOYSA-N 0 0 365.436 5.008 20 30 FKEDRN C=C[C@H](CC(=O)Nc1ccccc1-c1ncc2n1CCCC2)c1ccccc1 ZINC000559247407 568489468 /nfs/dbraw/zinc/48/94/68/568489468.db2.gz PAHBDFMIOGKNRN-GOSISDBHSA-N 0 0 371.484 5.185 20 30 FKEDRN C=C[C@@H](CC(=O)Nc1ccccc1-c1ncc2n1CCCC2)c1ccccc1 ZINC000559247408 568489453 /nfs/dbraw/zinc/48/94/53/568489453.db2.gz PAHBDFMIOGKNRN-SFHVURJKSA-N 0 0 371.484 5.185 20 30 FKEDRN C[C@@H](Nc1ccccc1NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000559250643 568484031 /nfs/dbraw/zinc/48/40/31/568484031.db2.gz CBFYOHDVTRSOAE-QGZVFWFLSA-N 0 0 355.441 5.178 20 30 FKEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000559385649 568491112 /nfs/dbraw/zinc/49/11/12/568491112.db2.gz CKDBSOGCBQJRMT-UHFFFAOYSA-N 0 0 374.469 5.264 20 30 FKEDRN Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000559445583 568491903 /nfs/dbraw/zinc/49/19/03/568491903.db2.gz AVRRPMVAJZEEJY-OAQYLSRUSA-N 0 0 365.477 5.339 20 30 FKEDRN N#Cc1ccc2c(c1)N(C(=O)c1ccc(CSc3ccccc3)cc1)CC2 ZINC000559474037 568492269 /nfs/dbraw/zinc/49/22/69/568492269.db2.gz OELIOYUMJMCKRK-UHFFFAOYSA-N 0 0 370.477 5.053 20 30 FKEDRN CSCc1ccc(NC(=O)c2sc3ccc(C#N)cc3c2C)cc1 ZINC000559489486 568492359 /nfs/dbraw/zinc/49/23/59/568492359.db2.gz FKWAWOJWRLUHQF-UHFFFAOYSA-N 0 0 352.484 5.197 20 30 FKEDRN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1occc1C(C)C ZINC000559519262 568492812 /nfs/dbraw/zinc/49/28/12/568492812.db2.gz HZKKGUVSNOMYGP-UHFFFAOYSA-N 0 0 361.401 5.023 20 30 FKEDRN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000559623431 568494097 /nfs/dbraw/zinc/49/40/97/568494097.db2.gz JTPZLDGPXHASSS-KBAYOESNSA-N 0 0 365.502 5.006 20 30 FKEDRN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000559623432 568494055 /nfs/dbraw/zinc/49/40/55/568494055.db2.gz JTPZLDGPXHASSS-SZMVWBNQSA-N 0 0 365.502 5.006 20 30 FKEDRN Cc1ccc2snc(C(=O)Nc3ccccc3SC[C@H](C)C#N)c2c1 ZINC000559650189 568494296 /nfs/dbraw/zinc/49/42/96/568494296.db2.gz MSBDYVBMGHVDRE-CYBMUJFWSA-N 0 0 367.499 5.109 20 30 FKEDRN Cc1ccc2snc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)c2c1 ZINC000559650205 568494274 /nfs/dbraw/zinc/49/42/74/568494274.db2.gz MSBDYVBMGHVDRE-ZDUSSCGKSA-N 0 0 367.499 5.109 20 30 FKEDRN N#CCCSc1ccccc1NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000559651360 568494250 /nfs/dbraw/zinc/49/42/50/568494250.db2.gz SYBCOXDQCFNHKR-UHFFFAOYSA-N 0 0 369.248 5.391 20 30 FKEDRN N#Cc1cccc(Oc2ccc(NC(=O)c3cc(F)ccc3Cl)cc2)c1 ZINC000559677022 568494406 /nfs/dbraw/zinc/49/44/06/568494406.db2.gz QLSYMOXTDOYGOL-UHFFFAOYSA-N 0 0 366.779 5.395 20 30 FKEDRN C[C@H](CC#N)Sc1ccccc1NC(=O)c1cnc2c(F)cccc2c1 ZINC000559682474 568494416 /nfs/dbraw/zinc/49/44/16/568494416.db2.gz WXZHXGCZOMQNSJ-CYBMUJFWSA-N 0 0 365.433 5.020 20 30 FKEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc2c(F)cccc2c1 ZINC000559682475 568494447 /nfs/dbraw/zinc/49/44/47/568494447.db2.gz WXZHXGCZOMQNSJ-ZDUSSCGKSA-N 0 0 365.433 5.020 20 30 FKEDRN CSCc1cccc(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 ZINC000559703669 568494676 /nfs/dbraw/zinc/49/46/76/568494676.db2.gz KPRMXNFVQPLOGF-UHFFFAOYSA-N 0 0 352.484 5.197 20 30 FKEDRN N#Cc1ccc(CN(C(=O)Nc2ccccc2-c2cccs2)C2CC2)cc1 ZINC000559806290 568494196 /nfs/dbraw/zinc/49/41/96/568494196.db2.gz UFUMZIBTUYRZIE-UHFFFAOYSA-N 0 0 373.481 5.483 20 30 FKEDRN N#Cc1cscc1C(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000559823270 568492329 /nfs/dbraw/zinc/49/23/29/568492329.db2.gz UDAIARRQIYMQAT-UHFFFAOYSA-N 0 0 371.421 5.213 20 30 FKEDRN C=C[C@@H](CC(=O)Nc1cc(F)c(F)cc1Br)c1ccccc1 ZINC000559870349 568500605 /nfs/dbraw/zinc/50/06/05/568500605.db2.gz KNFHFAGJRDTSBS-NSHDSACASA-N 0 0 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