smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N[C@](C)(C#N)CCCCN(C)CCC[NH+](C)C ZINC000111144237 186359625 /nfs/dbraw/zinc/35/96/25/186359625.db2.gz QIYHIJXDVNZFAL-INIZCTEOSA-N 1 3 282.476 2.320 10 30 CEEEHO CCC(C)(C)[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000069446189 521299779 /nfs/dbraw/zinc/29/97/79/521299779.db2.gz GOURKMZRIUVTCV-UHFFFAOYSA-N 1 3 274.408 2.496 10 30 CEEEHO CCC(C)(C)[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000069446189 521299787 /nfs/dbraw/zinc/29/97/87/521299787.db2.gz GOURKMZRIUVTCV-UHFFFAOYSA-N 1 3 274.408 2.496 10 30 CEEEHO C[C@@H]1CCC[N@H+](CCOc2cccc(C#CCN)c2)CC1 ZINC000110808321 186326528 /nfs/dbraw/zinc/32/65/28/186326528.db2.gz RRGVUDXAMDJZKS-MRXNPFEDSA-N 1 3 286.419 2.498 10 30 CEEEHO C[C@@H]1CCC[N@@H+](CCOc2cccc(C#CCN)c2)CC1 ZINC000110808321 186326529 /nfs/dbraw/zinc/32/65/29/186326529.db2.gz RRGVUDXAMDJZKS-MRXNPFEDSA-N 1 3 286.419 2.498 10 30 CEEEHO CN(CCCOc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189133 176064544 /nfs/dbraw/zinc/06/45/44/176064544.db2.gz FWTJTCZBMMBTHK-INIZCTEOSA-N 1 3 287.407 2.211 10 30 CEEEHO CN(CCCOc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189133 176064545 /nfs/dbraw/zinc/06/45/45/176064545.db2.gz FWTJTCZBMMBTHK-INIZCTEOSA-N 1 3 287.407 2.211 10 30 CEEEHO CC(C)CN1CCCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000160809679 264262000 /nfs/dbraw/zinc/26/20/00/264262000.db2.gz PVZKAGOIHCREMJ-CYBMUJFWSA-N 1 3 268.449 2.200 10 30 CEEEHO CC[NH+]=C(NCC1CCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262017253 629441480 /nfs/dbraw/zinc/44/14/80/629441480.db2.gz YATOCPQRRXTPCL-DZGCQCFKSA-N 1 3 280.460 2.070 10 30 CEEEHO CCO[C@H]1CCCN(Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689073 175095418 /nfs/dbraw/zinc/09/54/18/175095418.db2.gz HCKWPBSFCVPCBZ-AWEZNQCLSA-N 1 3 278.421 2.059 10 30 CEEEHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N[C@@H]1C[C@H]1C ZINC000262831397 330034680 /nfs/dbraw/zinc/03/46/80/330034680.db2.gz RMBYRLFBLYFEDS-BFHYXJOUSA-N 1 3 280.460 2.070 10 30 CEEEHO CCN(Cc1sccc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000043683828 175091924 /nfs/dbraw/zinc/09/19/24/175091924.db2.gz DNJUOZNSJZAPNA-CQSZACIVSA-N 1 3 278.421 2.059 10 30 CEEEHO CCCN[C@@](C)(C#N)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045311157 175356295 /nfs/dbraw/zinc/35/62/95/175356295.db2.gz NMQYQAYOOCYAHP-QGZVFWFLSA-N 1 3 294.487 2.465 10 30 CEEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263269312 330051332 /nfs/dbraw/zinc/05/13/32/330051332.db2.gz OPSRHKUWHLWSLO-KGLIPLIRSA-N 1 3 278.444 2.098 10 30 CEEEHO CC[NH+]=C(NCC1CCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262017255 629441142 /nfs/dbraw/zinc/44/11/42/629441142.db2.gz YATOCPQRRXTPCL-UKRRQHHQSA-N 1 3 280.460 2.070 10 30 CEEEHO CCCN[C@@](C)(C#N)CCCCN(C)CCC[NH+](C)C ZINC000111144232 186358836 /nfs/dbraw/zinc/35/88/36/186358836.db2.gz NTQIEMWWDCEMBO-MRXNPFEDSA-N 1 3 282.476 2.322 10 30 CEEEHO C[N@H+](CCOc1ccc(C#CCN)cc1)CC(C)(C)C ZINC000045086726 175304178 /nfs/dbraw/zinc/30/41/78/175304178.db2.gz DYSXXCIBXXNKHH-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO C[N@@H+](CCOc1ccc(C#CCN)cc1)CC(C)(C)C ZINC000045086726 175304180 /nfs/dbraw/zinc/30/41/80/175304180.db2.gz DYSXXCIBXXNKHH-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC[NH+]=C(NC1CCC1)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000262810397 330033278 /nfs/dbraw/zinc/03/32/78/330033278.db2.gz UYFBSCJMRXRDBN-MRXNPFEDSA-N 1 3 292.471 2.359 10 30 CEEEHO CCC(C)(C)[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000069446192 521302221 /nfs/dbraw/zinc/30/22/21/521302221.db2.gz FZQIFAYLOVVTQS-UHFFFAOYSA-N 1 3 274.408 2.496 10 30 CEEEHO CCC(C)(C)[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000069446192 521302230 /nfs/dbraw/zinc/30/22/30/521302230.db2.gz FZQIFAYLOVVTQS-UHFFFAOYSA-N 1 3 274.408 2.496 10 30 CEEEHO CCCCCCCCCN1CCN(CC[NH3+])CC1 ZINC000059157524 520028257 /nfs/dbraw/zinc/02/82/57/520028257.db2.gz QDZPRJITIMEBJC-UHFFFAOYSA-N 1 3 255.450 2.313 10 30 CEEEHO CN(Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CCCCO1 ZINC000043688955 175095298 /nfs/dbraw/zinc/09/52/98/175095298.db2.gz BDFNAMGLAAVVGW-AWEZNQCLSA-N 1 3 278.421 2.059 10 30 CEEEHO CC(C)N[C@@](C)(C#N)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045311163 175356653 /nfs/dbraw/zinc/35/66/53/175356653.db2.gz XELUCWNJIXHANP-QGZVFWFLSA-N 1 3 294.487 2.463 10 30 CEEEHO CN(CCCOc1ccc(C#N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189132 176064502 /nfs/dbraw/zinc/06/45/02/176064502.db2.gz FWTJTCZBMMBTHK-MRXNPFEDSA-N 1 3 287.407 2.211 10 30 CEEEHO CN(CCCOc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189132 176064503 /nfs/dbraw/zinc/06/45/03/176064503.db2.gz FWTJTCZBMMBTHK-MRXNPFEDSA-N 1 3 287.407 2.211 10 30 CEEEHO CCCN[C@](C)(C#N)C[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612643 520103198 /nfs/dbraw/zinc/10/31/98/520103198.db2.gz RSPOSUQXXXZYTK-WBVHZDCISA-N 1 3 294.487 2.320 10 30 CEEEHO CC[N@@H+](Cc1ccc(OC)c(C#CCN)c1)CC1CC1 ZINC000069238993 521323471 /nfs/dbraw/zinc/32/34/71/521323471.db2.gz LQLOMEMHOXHGAW-UHFFFAOYSA-N 1 3 272.392 2.237 10 30 CEEEHO CC[N@H+](Cc1ccc(OC)c(C#CCN)c1)CC1CC1 ZINC000069238993 521323481 /nfs/dbraw/zinc/32/34/81/521323481.db2.gz LQLOMEMHOXHGAW-UHFFFAOYSA-N 1 3 272.392 2.237 10 30 CEEEHO CC[NH+]=C(NCCNC(C)(C)C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156024364 260778311 /nfs/dbraw/zinc/77/83/11/260778311.db2.gz WNKQSDIAMCPEGS-GJZGRUSLSA-N 1 3 294.487 2.462 10 30 CEEEHO CCCN[C@](C)(C#N)C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612650 520102921 /nfs/dbraw/zinc/10/29/21/520102921.db2.gz RSPOSUQXXXZYTK-RDJZCZTQSA-N 1 3 294.487 2.320 10 30 CEEEHO CN[C@@](C)(C#N)C[C@@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000068615420 522406180 /nfs/dbraw/zinc/40/61/80/522406180.db2.gz KRKWTOQLSFJSSY-NVXWUHKLSA-N 1 3 292.471 2.074 10 30 CEEEHO CN(Cc1ccc(C#N)cc1F)C1CCC([NH3+])CC1 ZINC000091846576 180270379 /nfs/dbraw/zinc/27/03/79/180270379.db2.gz JLJLCIHKRQEHME-UHFFFAOYSA-N 1 3 261.344 2.399 10 30 CEEEHO C[C@@H]1CCC[N@H+](CCOc2ccc(C#CCN)cc2)CC1 ZINC000110808303 186326855 /nfs/dbraw/zinc/32/68/55/186326855.db2.gz FROKVWFTSYMMHV-MRXNPFEDSA-N 1 3 286.419 2.498 10 30 CEEEHO C[C@@H]1CCC[N@@H+](CCOc2ccc(C#CCN)cc2)CC1 ZINC000110808303 186326856 /nfs/dbraw/zinc/32/68/56/186326856.db2.gz FROKVWFTSYMMHV-MRXNPFEDSA-N 1 3 286.419 2.498 10 30 CEEEHO CC(C)N[C@](C)(C#N)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045311160 175356612 /nfs/dbraw/zinc/35/66/12/175356612.db2.gz XELUCWNJIXHANP-KRWDZBQOSA-N 1 3 294.487 2.463 10 30 CEEEHO CCCN[C@](C)(C#N)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045311153 175356809 /nfs/dbraw/zinc/35/68/09/175356809.db2.gz NMQYQAYOOCYAHP-KRWDZBQOSA-N 1 3 294.487 2.465 10 30 CEEEHO CCCN[C@@](C)(C#N)C[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612645 520032406 /nfs/dbraw/zinc/03/24/06/520032406.db2.gz RSPOSUQXXXZYTK-NVXWUHKLSA-N 1 3 294.487 2.320 10 30 CEEEHO CC(C)(C#N)CCCN1CCN(c2cc[nH+]cc2N)CC1 ZINC000087599512 534981916 /nfs/dbraw/zinc/98/19/16/534981916.db2.gz SZYAUKJFHWUKRP-UHFFFAOYSA-N 1 3 287.411 2.116 10 30 CEEEHO CCOC1CCN(Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688950 175095768 /nfs/dbraw/zinc/09/57/68/175095768.db2.gz BCVLIRLLVAQUGF-UHFFFAOYSA-N 1 3 278.421 2.059 10 30 CEEEHO C[NH+]=C(NCC1CCCC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262741819 262785550 /nfs/dbraw/zinc/78/55/50/262785550.db2.gz DULRHBVTYGMHOU-OAHLLOKOSA-N 1 3 292.471 2.359 10 30 CEEEHO CC[NH+]=C(NCC(C)(C)N1CCCCC1)N[C@@H]1C[C@H]1C ZINC000262225192 330002119 /nfs/dbraw/zinc/00/21/19/330002119.db2.gz MBWWYLHWHCHCGP-ZIAGYGMSSA-N 1 3 280.460 2.214 10 30 CEEEHO CC[NH+]=C(NCC1(C)CC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262396330 330012650 /nfs/dbraw/zinc/01/26/50/330012650.db2.gz MYXHZDFZCNBROS-AWEZNQCLSA-N 1 3 292.471 2.359 10 30 CEEEHO CC[NH+]=C(NC1CCC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262784730 330031358 /nfs/dbraw/zinc/03/13/58/330031358.db2.gz MAGXOQXTOIRMJC-CQSZACIVSA-N 1 3 278.444 2.111 10 30 CEEEHO CC[C@H](C)[N@H+](CC)CCOc1ccc(C#CCN)cc1 ZINC000049608934 523934098 /nfs/dbraw/zinc/93/40/98/523934098.db2.gz GZYOUUGOWQTFAZ-HNNXBMFYSA-N 1 3 274.408 2.496 10 30 CEEEHO CC[C@H](C)[N@@H+](CC)CCOc1ccc(C#CCN)cc1 ZINC000049608934 523934103 /nfs/dbraw/zinc/93/41/03/523934103.db2.gz GZYOUUGOWQTFAZ-HNNXBMFYSA-N 1 3 274.408 2.496 10 30 CEEEHO C=C(Cl)CNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]CC ZINC000261662578 628972863 /nfs/dbraw/zinc/97/28/63/628972863.db2.gz AYIIFFGTXJPVGG-DGCLKSJQSA-N 1 3 286.851 2.023 10 30 CEEEHO C[C@H]1CCC[N@H+](CCOc2cccc(C#CCN)c2)CC1 ZINC000110808323 186325882 /nfs/dbraw/zinc/32/58/82/186325882.db2.gz RRGVUDXAMDJZKS-INIZCTEOSA-N 1 3 286.419 2.498 10 30 CEEEHO C[C@H]1CCC[N@@H+](CCOc2cccc(C#CCN)c2)CC1 ZINC000110808323 186325884 /nfs/dbraw/zinc/32/58/84/186325884.db2.gz RRGVUDXAMDJZKS-INIZCTEOSA-N 1 3 286.419 2.498 10 30 CEEEHO CC(C#N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309712552 376603208 /nfs/dbraw/zinc/60/32/08/376603208.db2.gz KOKNQQUKZQQLGQ-MXASKKJJSA-N 1 3 297.402 2.173 10 30 CEEEHO CC(C#N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309712552 376603210 /nfs/dbraw/zinc/60/32/10/376603210.db2.gz KOKNQQUKZQQLGQ-MXASKKJJSA-N 1 3 297.402 2.173 10 30 CEEEHO CC[NH+](CC)CCOc1ccc(C)cc1C#CCN ZINC000037548025 173264893 /nfs/dbraw/zinc/26/48/93/173264893.db2.gz QXEBRGODFBAIML-UHFFFAOYSA-N 1 3 260.381 2.026 10 30 CEEEHO C[C@H]1CCCC[N@@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608388 526249883 /nfs/dbraw/zinc/24/98/83/526249883.db2.gz IKMDVOUASUDBHG-HNNXBMFYSA-N 1 3 272.392 2.250 10 30 CEEEHO C[C@H]1CCCC[N@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608388 526249888 /nfs/dbraw/zinc/24/98/88/526249888.db2.gz IKMDVOUASUDBHG-HNNXBMFYSA-N 1 3 272.392 2.250 10 30 CEEEHO C[C@H](C#N)CNCCCCCCC[NH2+]C[C@H](C)C#N ZINC000584651685 344973400 /nfs/dbraw/zinc/97/34/00/344973400.db2.gz CKYLEPHEOONYPN-HUUCEWRRSA-N 1 3 264.417 2.435 10 30 CEEEHO COCC[N@H+](Cc1sccc1C#CCN)[C@H](C)C1CC1 ZINC000043684234 175093158 /nfs/dbraw/zinc/09/31/58/175093158.db2.gz KGMMORNUBYWANS-CYBMUJFWSA-N 1 3 292.448 2.305 10 30 CEEEHO COCC[N@@H+](Cc1sccc1C#CCN)[C@H](C)C1CC1 ZINC000043684234 175093159 /nfs/dbraw/zinc/09/31/59/175093159.db2.gz KGMMORNUBYWANS-CYBMUJFWSA-N 1 3 292.448 2.305 10 30 CEEEHO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612677 519739187 /nfs/dbraw/zinc/73/91/87/519739187.db2.gz PFRWNLHHCSTKBZ-WBVHZDCISA-N 1 3 294.487 2.319 10 30 CEEEHO CCC[N@H+](CC)Cc1cc(C#CCN)ccc1OC ZINC000049608866 521613711 /nfs/dbraw/zinc/61/37/11/521613711.db2.gz YHKCPPYFOHUEOB-UHFFFAOYSA-N 1 3 260.381 2.237 10 30 CEEEHO CCC[N@@H+](CC)Cc1cc(C#CCN)ccc1OC ZINC000049608866 521613714 /nfs/dbraw/zinc/61/37/14/521613714.db2.gz YHKCPPYFOHUEOB-UHFFFAOYSA-N 1 3 260.381 2.237 10 30 CEEEHO CCC[N@H+](CCOc1ccc(C#CCN)cc1)C1CC1 ZINC000049608963 521669503 /nfs/dbraw/zinc/66/95/03/521669503.db2.gz BREMELJSXPMBKS-UHFFFAOYSA-N 1 3 272.392 2.250 10 30 CEEEHO CCC[N@@H+](CCOc1ccc(C#CCN)cc1)C1CC1 ZINC000049608963 521669505 /nfs/dbraw/zinc/66/95/05/521669505.db2.gz BREMELJSXPMBKS-UHFFFAOYSA-N 1 3 272.392 2.250 10 30 CEEEHO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609217 524320968 /nfs/dbraw/zinc/32/09/68/524320968.db2.gz QUVUYKQZWBRQER-LBPRGKRZSA-N 1 3 260.356 2.366 10 30 CEEEHO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049609217 524320978 /nfs/dbraw/zinc/32/09/78/524320978.db2.gz QUVUYKQZWBRQER-LBPRGKRZSA-N 1 3 260.356 2.366 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049608637 525384148 /nfs/dbraw/zinc/38/41/48/525384148.db2.gz UPCZAGKAIPDVIO-IYBDPMFKSA-N 1 3 286.419 2.354 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049608637 525384152 /nfs/dbraw/zinc/38/41/52/525384152.db2.gz UPCZAGKAIPDVIO-IYBDPMFKSA-N 1 3 286.419 2.354 10 30 CEEEHO C[NH+]=C(NCCC1=CCCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261935056 629345848 /nfs/dbraw/zinc/34/58/48/629345848.db2.gz CGCLBEVFKHNBER-GOEBONIOSA-N 1 3 292.471 2.381 10 30 CEEEHO C[NH+]=C(NCC(C)(C)N1CCC[C@H](C)C1)N[C@@H]1C[C@@H]1C ZINC000083909232 632225307 /nfs/dbraw/zinc/22/53/07/632225307.db2.gz RMBYRLFBLYFEDS-MELADBBJSA-N 1 3 280.460 2.070 10 30 CEEEHO CN(C)CCC[N@H+](C)CCOc1ccc(CC#N)cc1 ZINC000111137120 186357704 /nfs/dbraw/zinc/35/77/04/186357704.db2.gz XCPAPPDUHMXHGK-UHFFFAOYSA-N 1 3 275.396 2.015 10 30 CEEEHO CN(C)CCC[N@@H+](C)CCOc1ccc(CC#N)cc1 ZINC000111137120 186357705 /nfs/dbraw/zinc/35/77/05/186357705.db2.gz XCPAPPDUHMXHGK-UHFFFAOYSA-N 1 3 275.396 2.015 10 30 CEEEHO CC[C@H](C)N(CCOC)Cc1ccc(C#CC[NH3+])cc1F ZINC000042590482 174811692 /nfs/dbraw/zinc/81/16/92/174811692.db2.gz RNWQPPRJSJBGBH-AWEZNQCLSA-N 1 3 292.398 2.383 10 30 CEEEHO C=C(C)C[N@H+](CC)CCn1cc(CNC(C)(C)C)nn1 ZINC000052423420 518600094 /nfs/dbraw/zinc/60/00/94/518600094.db2.gz WHPDZONBCHRARY-UHFFFAOYSA-N 1 3 279.432 2.064 10 30 CEEEHO C=C(C)C[N@@H+](CC)CCn1cc(CNC(C)(C)C)nn1 ZINC000052423420 518600099 /nfs/dbraw/zinc/60/00/99/518600099.db2.gz WHPDZONBCHRARY-UHFFFAOYSA-N 1 3 279.432 2.064 10 30 CEEEHO C=CCN(CC=C)C[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052376704 518770374 /nfs/dbraw/zinc/77/03/74/518770374.db2.gz XORGQDWDYQKOJB-JKSUJKDBSA-N 1 3 266.429 2.454 10 30 CEEEHO CC[N@H+](CCOc1cccc(C#CCN)c1)CC(C)C ZINC000049608848 521149674 /nfs/dbraw/zinc/14/96/74/521149674.db2.gz YXKNAJQHMLBLNE-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC[N@@H+](CCOc1cccc(C#CCN)c1)CC(C)C ZINC000049608848 521149677 /nfs/dbraw/zinc/14/96/77/521149677.db2.gz YXKNAJQHMLBLNE-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CCC[N@H+](CC)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608867 521615464 /nfs/dbraw/zinc/61/54/64/521615464.db2.gz WISISHDEDNABAR-UHFFFAOYSA-N 1 3 260.381 2.237 10 30 CEEEHO CCC[N@@H+](CC)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608867 521615466 /nfs/dbraw/zinc/61/54/66/521615466.db2.gz WISISHDEDNABAR-UHFFFAOYSA-N 1 3 260.381 2.237 10 30 CEEEHO C[C@H]1CCCN(Cc2ccc(C#CC[NH3+])cc2F)C1 ZINC000049608470 524091346 /nfs/dbraw/zinc/09/13/46/524091346.db2.gz GIRVNXGHGNINGF-ZDUSSCGKSA-N 1 3 260.356 2.368 10 30 CEEEHO CC(C#N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309712550 376603239 /nfs/dbraw/zinc/60/32/39/376603239.db2.gz KOKNQQUKZQQLGQ-BSWAZPDLSA-N 1 3 297.402 2.173 10 30 CEEEHO CC(C#N)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309712550 376603244 /nfs/dbraw/zinc/60/32/44/376603244.db2.gz KOKNQQUKZQQLGQ-BSWAZPDLSA-N 1 3 297.402 2.173 10 30 CEEEHO CCCO[C@H]1CCCN(Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043684099 175091638 /nfs/dbraw/zinc/09/16/38/175091638.db2.gz MUQSNXGMMZLPCZ-AWEZNQCLSA-N 1 3 292.448 2.449 10 30 CEEEHO CC[C@@H](C)[N@H+](CCOC)Cc1sccc1C#CCN ZINC000043684189 175092951 /nfs/dbraw/zinc/09/29/51/175092951.db2.gz DCCNQANMNLHDBT-CYBMUJFWSA-N 1 3 280.437 2.305 10 30 CEEEHO CC[C@@H](C)[N@@H+](CCOC)Cc1sccc1C#CCN ZINC000043684189 175092953 /nfs/dbraw/zinc/09/29/53/175092953.db2.gz DCCNQANMNLHDBT-CYBMUJFWSA-N 1 3 280.437 2.305 10 30 CEEEHO CC[N@@H+](Cc1ccc(F)c(C#CCN)c1)CC1CC1 ZINC000069238985 521313101 /nfs/dbraw/zinc/31/31/01/521313101.db2.gz RZBQMJFVYKVZIP-UHFFFAOYSA-N 1 3 260.356 2.368 10 30 CEEEHO CC[N@H+](Cc1ccc(F)c(C#CCN)c1)CC1CC1 ZINC000069238985 521313109 /nfs/dbraw/zinc/31/31/09/521313109.db2.gz RZBQMJFVYKVZIP-UHFFFAOYSA-N 1 3 260.356 2.368 10 30 CEEEHO C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609220 526204085 /nfs/dbraw/zinc/20/40/85/526204085.db2.gz GROGFHYMFQAQDL-GFCCVEGCSA-N 1 3 260.356 2.366 10 30 CEEEHO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609220 526204094 /nfs/dbraw/zinc/20/40/94/526204094.db2.gz GROGFHYMFQAQDL-GFCCVEGCSA-N 1 3 260.356 2.366 10 30 CEEEHO C[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261972163 629406675 /nfs/dbraw/zinc/40/66/75/629406675.db2.gz NCDJIVXNINMXQQ-DZGCQCFKSA-N 1 3 292.471 2.070 10 30 CEEEHO CCCCCCCN1CCN(C(C)(C)C[NH3+])CC1 ZINC000109464657 186253508 /nfs/dbraw/zinc/25/35/08/186253508.db2.gz MYARJCFQQVCUPS-UHFFFAOYSA-N 1 3 255.450 2.312 10 30 CEEEHO COCC[N@H+](Cc1sccc1C#CCN)[C@@H](C)C1CC1 ZINC000043684232 175093162 /nfs/dbraw/zinc/09/31/62/175093162.db2.gz KGMMORNUBYWANS-ZDUSSCGKSA-N 1 3 292.448 2.305 10 30 CEEEHO COCC[N@@H+](Cc1sccc1C#CCN)[C@@H](C)C1CC1 ZINC000043684232 175093163 /nfs/dbraw/zinc/09/31/63/175093163.db2.gz KGMMORNUBYWANS-ZDUSSCGKSA-N 1 3 292.448 2.305 10 30 CEEEHO CC[NH+](CC)CCCNC(=O)C(C#N)Cc1ccccc1 ZINC000044811014 175257847 /nfs/dbraw/zinc/25/78/47/175257847.db2.gz SGFZRQYDLYOFHU-MRXNPFEDSA-N 1 3 287.407 2.217 10 30 CEEEHO CC[N@H+](CCOc1ccc(C#CCN)cc1)C(C)C ZINC000049608893 521150966 /nfs/dbraw/zinc/15/09/66/521150966.db2.gz IEPVJQWCHWYAJR-UHFFFAOYSA-N 1 3 260.381 2.106 10 30 CEEEHO CC[N@@H+](CCOc1ccc(C#CCN)cc1)C(C)C ZINC000049608893 521150974 /nfs/dbraw/zinc/15/09/74/521150974.db2.gz IEPVJQWCHWYAJR-UHFFFAOYSA-N 1 3 260.381 2.106 10 30 CEEEHO C[C@H](C[C@@](C)(C#N)NC1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000068612630 524630139 /nfs/dbraw/zinc/63/01/39/524630139.db2.gz NMFCAEKCIPPSMD-PBHICJAKSA-N 1 3 292.471 2.073 10 30 CEEEHO NCC#Cc1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000049608482 527153257 /nfs/dbraw/zinc/15/32/57/527153257.db2.gz VKAUSCFAPIQPMO-UHFFFAOYSA-N 1 3 272.392 2.252 10 30 CEEEHO CCO[C@H]1CCCN(Cc2ccc(C#CC[NH3+])s2)C1 ZINC000043684106 175092676 /nfs/dbraw/zinc/09/26/76/175092676.db2.gz XBZGHLYFUCQVHC-ZDUSSCGKSA-N 1 3 278.421 2.059 10 30 CEEEHO CC(C)[C@H](C)[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609232 519811768 /nfs/dbraw/zinc/81/17/68/519811768.db2.gz OBINKDGOFCZURK-HNNXBMFYSA-N 1 3 274.408 2.352 10 30 CEEEHO CC(C)[C@H](C)[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609232 519811769 /nfs/dbraw/zinc/81/17/69/519811769.db2.gz OBINKDGOFCZURK-HNNXBMFYSA-N 1 3 274.408 2.352 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@H+](C)[C@H](C)C(C)C ZINC000049609227 523512599 /nfs/dbraw/zinc/51/25/99/523512599.db2.gz FQAOTHHVNOHWQU-CQSZACIVSA-N 1 3 274.408 2.482 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@@H+](C)[C@H](C)C(C)C ZINC000049609227 523512606 /nfs/dbraw/zinc/51/26/06/523512606.db2.gz FQAOTHHVNOHWQU-CQSZACIVSA-N 1 3 274.408 2.482 10 30 CEEEHO COc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1C#CCN ZINC000049609209 524009926 /nfs/dbraw/zinc/00/99/26/524009926.db2.gz HSLUUFVGKSGSNW-ZDUSSCGKSA-N 1 3 272.392 2.236 10 30 CEEEHO COc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1C#CCN ZINC000049609209 524009931 /nfs/dbraw/zinc/00/99/31/524009931.db2.gz HSLUUFVGKSGSNW-ZDUSSCGKSA-N 1 3 272.392 2.236 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C#CCN)C1 ZINC000049608625 525386617 /nfs/dbraw/zinc/38/66/17/525386617.db2.gz ZNSVOAPHHKXACA-GASCZTMLSA-N 1 3 256.393 2.475 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C#CCN)C1 ZINC000049608625 525386625 /nfs/dbraw/zinc/38/66/25/525386625.db2.gz ZNSVOAPHHKXACA-GASCZTMLSA-N 1 3 256.393 2.475 10 30 CEEEHO CC[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)N[C@@H]1C[C@@H]1C ZINC000083898762 625093941 /nfs/dbraw/zinc/09/39/41/625093941.db2.gz GGWXNIIOKYCKQD-ZQDZILKHSA-N 1 3 280.460 2.213 10 30 CEEEHO C[N@H+](CCOc1cccc(C#CCN)c1)CC(C)(C)C ZINC000045086737 175304380 /nfs/dbraw/zinc/30/43/80/175304380.db2.gz TVPPDBAJESERRZ-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO C[N@@H+](CCOc1cccc(C#CCN)c1)CC(C)(C)C ZINC000045086737 175304382 /nfs/dbraw/zinc/30/43/82/175304382.db2.gz TVPPDBAJESERRZ-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO C[NH+]=C(NCC(C)(C)CN(C)C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261704499 329978580 /nfs/dbraw/zinc/97/85/80/329978580.db2.gz JMFFUDZKGZSRDZ-GASCZTMLSA-N 1 3 294.487 2.272 10 30 CEEEHO CCCC[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049608547 520412235 /nfs/dbraw/zinc/41/22/35/520412235.db2.gz YOMQTYBZCZPLEM-UHFFFAOYSA-N 1 3 260.381 2.108 10 30 CEEEHO CCCC[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049608547 520412243 /nfs/dbraw/zinc/41/22/43/520412243.db2.gz YOMQTYBZCZPLEM-UHFFFAOYSA-N 1 3 260.381 2.108 10 30 CEEEHO CC[C@@H](C)C[N@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049609019 521972140 /nfs/dbraw/zinc/97/21/40/521972140.db2.gz YFWBOVMOFDEHRI-CQSZACIVSA-N 1 3 274.408 2.483 10 30 CEEEHO CC[C@@H](C)C[N@@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049609019 521972144 /nfs/dbraw/zinc/97/21/44/521972144.db2.gz YFWBOVMOFDEHRI-CQSZACIVSA-N 1 3 274.408 2.483 10 30 CEEEHO CN[C@](C)(C#N)C[C@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000068615409 522512355 /nfs/dbraw/zinc/51/23/55/522512355.db2.gz KRKWTOQLSFJSSY-RDJZCZTQSA-N 1 3 292.471 2.074 10 30 CEEEHO CC[C@H](C)[N@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608832 523922738 /nfs/dbraw/zinc/92/27/38/523922738.db2.gz AVQIPXVXWPDXFG-ZDUSSCGKSA-N 1 3 260.381 2.236 10 30 CEEEHO CC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608832 523922739 /nfs/dbraw/zinc/92/27/39/523922739.db2.gz AVQIPXVXWPDXFG-ZDUSSCGKSA-N 1 3 260.381 2.236 10 30 CEEEHO C[C@@H](C[C@@](C)(C#N)NC1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000068612627 524849501 /nfs/dbraw/zinc/84/95/01/524849501.db2.gz NMFCAEKCIPPSMD-YOEHRIQHSA-N 1 3 292.471 2.073 10 30 CEEEHO CCCC[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049608542 520409655 /nfs/dbraw/zinc/40/96/55/520409655.db2.gz LXIDDQXLNLPYKM-UHFFFAOYSA-N 1 3 260.381 2.108 10 30 CEEEHO CCCC[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049608542 520409663 /nfs/dbraw/zinc/40/96/63/520409663.db2.gz LXIDDQXLNLPYKM-UHFFFAOYSA-N 1 3 260.381 2.108 10 30 CEEEHO C[N@H+](Cc1ccc(F)c(C#CCN)c1)[C@@H]1CCSC1 ZINC000049609011 523239503 /nfs/dbraw/zinc/23/95/03/523239503.db2.gz LWPHNTONLGYUDR-CQSZACIVSA-N 1 3 278.396 2.073 10 30 CEEEHO C[N@@H+](Cc1ccc(F)c(C#CCN)c1)[C@@H]1CCSC1 ZINC000049609011 523239508 /nfs/dbraw/zinc/23/95/08/523239508.db2.gz LWPHNTONLGYUDR-CQSZACIVSA-N 1 3 278.396 2.073 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000049609207 523513471 /nfs/dbraw/zinc/51/34/71/523513471.db2.gz GJWGNYPVPXDRBW-ZDUSSCGKSA-N 1 3 272.392 2.236 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000049609207 523513476 /nfs/dbraw/zinc/51/34/76/523513476.db2.gz GJWGNYPVPXDRBW-ZDUSSCGKSA-N 1 3 272.392 2.236 10 30 CEEEHO C[NH+]=C(NCc1cccs1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261937295 629346197 /nfs/dbraw/zinc/34/61/97/629346197.db2.gz CSAMTBNRYZHZLH-TZMCWYRMSA-N 1 3 294.468 2.142 10 30 CEEEHO CCN(CC)CCN[C@@]1(C#N)CCC[N@@H+](C(C)C)CC1 ZINC000086849273 179357673 /nfs/dbraw/zinc/35/76/73/179357673.db2.gz OSYGUHLENXZVOQ-INIZCTEOSA-N 1 3 280.460 2.074 10 30 CEEEHO CCN(CC)CCN[C@@]1(C#N)CCC[N@H+](C(C)C)CC1 ZINC000086849273 179357675 /nfs/dbraw/zinc/35/76/75/179357675.db2.gz OSYGUHLENXZVOQ-INIZCTEOSA-N 1 3 280.460 2.074 10 30 CEEEHO COc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1C#CCN ZINC000092087003 180321700 /nfs/dbraw/zinc/32/17/00/180321700.db2.gz RUFJTFUVMRVBNI-ZIAGYGMSSA-N 1 3 272.392 2.093 10 30 CEEEHO CC(C)N[C@@](C)(C#N)C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612690 519735604 /nfs/dbraw/zinc/73/56/04/519735604.db2.gz PFRWNLHHCSTKBZ-DOTOQJQBSA-N 1 3 294.487 2.319 10 30 CEEEHO CC(C)[C@@H](C)[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609221 519791086 /nfs/dbraw/zinc/79/10/86/519791086.db2.gz YFLALYRLCIHTOB-OAHLLOKOSA-N 1 3 274.408 2.352 10 30 CEEEHO CC(C)[C@@H](C)[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609221 519791087 /nfs/dbraw/zinc/79/10/87/519791087.db2.gz YFLALYRLCIHTOB-OAHLLOKOSA-N 1 3 274.408 2.352 10 30 CEEEHO C[N@H+](CCc1ccncc1)Cc1ccccc1C#CCN ZINC000049609395 522978501 /nfs/dbraw/zinc/97/85/01/522978501.db2.gz CGPRVKAWDHAWIT-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO C[N@@H+](CCc1ccncc1)Cc1ccccc1C#CCN ZINC000049609395 522978512 /nfs/dbraw/zinc/97/85/12/522978512.db2.gz CGPRVKAWDHAWIT-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO CC[C@@H]1CCC[N@@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608258 523266645 /nfs/dbraw/zinc/26/66/45/523266645.db2.gz SMDUWCDUGMMFHF-MRXNPFEDSA-N 1 3 272.392 2.250 10 30 CEEEHO CC[C@@H]1CCC[N@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608258 523266650 /nfs/dbraw/zinc/26/66/50/523266650.db2.gz SMDUWCDUGMMFHF-MRXNPFEDSA-N 1 3 272.392 2.250 10 30 CEEEHO CC[C@H](C)[N@H+](CC)CCOc1cccc(C#CCN)c1 ZINC000049608944 523934663 /nfs/dbraw/zinc/93/46/63/523934663.db2.gz XLPAHAOARCBMPP-HNNXBMFYSA-N 1 3 274.408 2.496 10 30 CEEEHO CC[C@H](C)[N@@H+](CC)CCOc1cccc(C#CCN)c1 ZINC000049608944 523934669 /nfs/dbraw/zinc/93/46/69/523934669.db2.gz XLPAHAOARCBMPP-HNNXBMFYSA-N 1 3 274.408 2.496 10 30 CEEEHO COc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1C#CCN ZINC000049608395 524026651 /nfs/dbraw/zinc/02/66/51/524026651.db2.gz ASYKZXDZXUVAEK-CQSZACIVSA-N 1 3 272.392 2.380 10 30 CEEEHO COc1ccc(C[N@H+]2CCCC[C@H]2C)cc1C#CCN ZINC000049608395 524026653 /nfs/dbraw/zinc/02/66/53/524026653.db2.gz ASYKZXDZXUVAEK-CQSZACIVSA-N 1 3 272.392 2.380 10 30 CEEEHO C[C@@H]1CCCN(Cc2ccc(C#CC[NH3+])cc2F)C1 ZINC000049608469 524232615 /nfs/dbraw/zinc/23/26/15/524232615.db2.gz GIRVNXGHGNINGF-CYBMUJFWSA-N 1 3 260.356 2.368 10 30 CEEEHO COc1ccc(C#CCN)cc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092086991 180321634 /nfs/dbraw/zinc/32/16/34/180321634.db2.gz JHAIOVWUDYWCEM-ZIAGYGMSSA-N 1 3 272.392 2.093 10 30 CEEEHO CC(C)N[C@@](C)(C#N)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045311120 175356730 /nfs/dbraw/zinc/35/67/30/175356730.db2.gz HXHVKRBLAUARHQ-MRXNPFEDSA-N 1 3 280.460 2.073 10 30 CEEEHO C[NH+]=C(NCC1(C)CC1)N[C@H]1CCN(CC2CCCC2)C1 ZINC000262340246 330007037 /nfs/dbraw/zinc/00/70/37/330007037.db2.gz CMAPZZLNJKIHKU-HNNXBMFYSA-N 1 3 292.471 2.216 10 30 CEEEHO C=CCN(CC=C)C[C@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052376677 518771275 /nfs/dbraw/zinc/77/12/75/518771275.db2.gz AEMHLEOCLLSVEY-HUUCEWRRSA-N 1 3 252.402 2.208 10 30 CEEEHO CC[C@@H](C)[N@H+](CC)CCOc1cccc(C#CCN)c1 ZINC000049608943 522081577 /nfs/dbraw/zinc/08/15/77/522081577.db2.gz XLPAHAOARCBMPP-OAHLLOKOSA-N 1 3 274.408 2.496 10 30 CEEEHO CC[C@@H](C)[N@@H+](CC)CCOc1cccc(C#CCN)c1 ZINC000049608943 522081584 /nfs/dbraw/zinc/08/15/84/522081584.db2.gz XLPAHAOARCBMPP-OAHLLOKOSA-N 1 3 274.408 2.496 10 30 CEEEHO COc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1C#CCN ZINC000092087002 180321554 /nfs/dbraw/zinc/32/15/54/180321554.db2.gz RUFJTFUVMRVBNI-KBPBESRZSA-N 1 3 272.392 2.093 10 30 CEEEHO CCC(CC)[N@H+](CCO)Cc1cc(C#CCN)cs1 ZINC000043689095 175095821 /nfs/dbraw/zinc/09/58/21/175095821.db2.gz XLNYBQSPCOBSRQ-UHFFFAOYSA-N 1 3 280.437 2.041 10 30 CEEEHO CCC(CC)[N@@H+](CCO)Cc1cc(C#CCN)cs1 ZINC000043689095 175095823 /nfs/dbraw/zinc/09/58/23/175095823.db2.gz XLNYBQSPCOBSRQ-UHFFFAOYSA-N 1 3 280.437 2.041 10 30 CEEEHO C[C@H]1C[N@H+](Cc2ccc(F)c(C#CCN)c2)C[C@H]1C ZINC000092087004 180320960 /nfs/dbraw/zinc/32/09/60/180320960.db2.gz VMKHTXNOULCWCI-BETUJISGSA-N 1 3 260.356 2.224 10 30 CEEEHO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#CCN)c2)C[C@H]1C ZINC000092087004 180320962 /nfs/dbraw/zinc/32/09/62/180320962.db2.gz VMKHTXNOULCWCI-BETUJISGSA-N 1 3 260.356 2.224 10 30 CEEEHO CC[C@@H](C)[N@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049608829 522064420 /nfs/dbraw/zinc/06/44/20/522064420.db2.gz LMVXSEKLQRGDMI-CYBMUJFWSA-N 1 3 260.381 2.236 10 30 CEEEHO CC[C@@H](C)[N@@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049608829 522064427 /nfs/dbraw/zinc/06/44/27/522064427.db2.gz LMVXSEKLQRGDMI-CYBMUJFWSA-N 1 3 260.381 2.236 10 30 CEEEHO CC(C)N[C@](C)(C#N)C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612684 519739308 /nfs/dbraw/zinc/73/93/08/519739308.db2.gz PFRWNLHHCSTKBZ-RDJZCZTQSA-N 1 3 294.487 2.319 10 30 CEEEHO CCC[N@H+](Cc1ccc(OC)c(C#CCN)c1)C1CC1 ZINC000049608967 521684069 /nfs/dbraw/zinc/68/40/69/521684069.db2.gz HTDFELQIWJGVJC-UHFFFAOYSA-N 1 3 272.392 2.380 10 30 CEEEHO CCC[N@@H+](Cc1ccc(OC)c(C#CCN)c1)C1CC1 ZINC000049608967 521684072 /nfs/dbraw/zinc/68/40/72/521684072.db2.gz HTDFELQIWJGVJC-UHFFFAOYSA-N 1 3 272.392 2.380 10 30 CEEEHO COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1C#CCN ZINC000049608465 524027667 /nfs/dbraw/zinc/02/76/67/524027667.db2.gz WLRVIUICGKHZRA-CQSZACIVSA-N 1 3 272.392 2.237 10 30 CEEEHO COc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1C#CCN ZINC000049608465 524027669 /nfs/dbraw/zinc/02/76/69/524027669.db2.gz WLRVIUICGKHZRA-CQSZACIVSA-N 1 3 272.392 2.237 10 30 CEEEHO CN(Cc1cc(C#CC[NH3+])cs1)C[C@H]1CCCCO1 ZINC000043688956 175095330 /nfs/dbraw/zinc/09/53/30/175095330.db2.gz BDFNAMGLAAVVGW-CQSZACIVSA-N 1 3 278.421 2.059 10 30 CEEEHO CC[C@@H](C)[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049608823 522058896 /nfs/dbraw/zinc/05/88/96/522058896.db2.gz RMALEIWJOQVUER-CQSZACIVSA-N 1 3 260.381 2.106 10 30 CEEEHO CC[C@@H](C)[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049608823 522058900 /nfs/dbraw/zinc/05/89/00/522058900.db2.gz RMALEIWJOQVUER-CQSZACIVSA-N 1 3 260.381 2.106 10 30 CEEEHO C[N@H+](Cc1ccc(F)c(C#CCN)c1)[C@H]1CCSC1 ZINC000049609012 523239589 /nfs/dbraw/zinc/23/95/89/523239589.db2.gz LWPHNTONLGYUDR-AWEZNQCLSA-N 1 3 278.396 2.073 10 30 CEEEHO C[N@@H+](Cc1ccc(F)c(C#CCN)c1)[C@H]1CCSC1 ZINC000049609012 523239594 /nfs/dbraw/zinc/23/95/94/523239594.db2.gz LWPHNTONLGYUDR-AWEZNQCLSA-N 1 3 278.396 2.073 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049608643 525384799 /nfs/dbraw/zinc/38/47/99/525384799.db2.gz AGCPTCFBOJEGGF-GASCZTMLSA-N 1 3 256.393 2.475 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049608643 525384805 /nfs/dbraw/zinc/38/48/05/525384805.db2.gz AGCPTCFBOJEGGF-GASCZTMLSA-N 1 3 256.393 2.475 10 30 CEEEHO C[C@H]1C[NH+](Cc2ccc(F)c(C#CCN)c2)C[C@@H]1C ZINC000092087005 180321783 /nfs/dbraw/zinc/32/17/83/180321783.db2.gz VMKHTXNOULCWCI-STQMWFEESA-N 1 3 260.356 2.224 10 30 CEEEHO C[NH+]=C(NCC1(C)CC1)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000262340249 330007001 /nfs/dbraw/zinc/00/70/01/330007001.db2.gz CMAPZZLNJKIHKU-OAHLLOKOSA-N 1 3 292.471 2.216 10 30 CEEEHO CC[N@@H+](Cc1cc(C#CCN)ccc1OC)C(C)C ZINC000049608896 521285314 /nfs/dbraw/zinc/28/53/14/521285314.db2.gz KPXLONWAPCPKKY-UHFFFAOYSA-N 1 3 260.381 2.236 10 30 CEEEHO CC(C)CC[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609898 519651154 /nfs/dbraw/zinc/65/11/54/519651154.db2.gz CXBYPGUIHGOPJJ-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC(C)CC[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609898 519651155 /nfs/dbraw/zinc/65/11/55/519651155.db2.gz CXBYPGUIHGOPJJ-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC[N@H+](Cc1cc(C#CCN)ccc1OC)C(C)C ZINC000049608896 521285305 /nfs/dbraw/zinc/28/53/05/521285305.db2.gz KPXLONWAPCPKKY-UHFFFAOYSA-N 1 3 260.381 2.236 10 30 CEEEHO C[N@H+](CCc1ccncc1)Cc1cccc(C#CCN)c1 ZINC000049609397 522977789 /nfs/dbraw/zinc/97/77/89/522977789.db2.gz RABZCXZRMZTNAK-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO C[N@@H+](CCc1ccncc1)Cc1cccc(C#CCN)c1 ZINC000049609397 522977796 /nfs/dbraw/zinc/97/77/96/522977796.db2.gz RABZCXZRMZTNAK-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO CC(C)N[C@@](C)(C#N)CCCCN(C)CCC[NH+](C)C ZINC000111144241 186358869 /nfs/dbraw/zinc/35/88/69/186358869.db2.gz QIYHIJXDVNZFAL-MRXNPFEDSA-N 1 3 282.476 2.320 10 30 CEEEHO CC[C@H](C)[N@H+](CCOC)Cc1cc(C#CCN)cs1 ZINC000043689105 175095758 /nfs/dbraw/zinc/09/57/58/175095758.db2.gz UJXZEYFAYFVDTN-ZDUSSCGKSA-N 1 3 280.437 2.305 10 30 CEEEHO CC[C@H](C)[N@@H+](CCOC)Cc1cc(C#CCN)cs1 ZINC000043689105 175095759 /nfs/dbraw/zinc/09/57/59/175095759.db2.gz UJXZEYFAYFVDTN-ZDUSSCGKSA-N 1 3 280.437 2.305 10 30 CEEEHO C=CCN(CC=C)C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052376684 518771408 /nfs/dbraw/zinc/77/14/08/518771408.db2.gz AUJTVKHIMJGKHA-HUUCEWRRSA-N 1 3 252.402 2.206 10 30 CEEEHO C=C(Cl)CNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]CC ZINC000261662580 628972714 /nfs/dbraw/zinc/97/27/14/628972714.db2.gz AYIIFFGTXJPVGG-WCQYABFASA-N 1 3 286.851 2.023 10 30 CEEEHO C[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261972164 629406806 /nfs/dbraw/zinc/40/68/06/629406806.db2.gz NCDJIVXNINMXQQ-UKRRQHHQSA-N 1 3 292.471 2.070 10 30 CEEEHO C[NH2+]CCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087824927 179495058 /nfs/dbraw/zinc/49/50/58/179495058.db2.gz SZQQSXZKLAWCEF-UHFFFAOYSA-N 1 3 287.407 2.388 10 30 CEEEHO CC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608831 522064883 /nfs/dbraw/zinc/06/48/83/522064883.db2.gz AVQIPXVXWPDXFG-CYBMUJFWSA-N 1 3 260.381 2.236 10 30 CEEEHO CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049608831 522064892 /nfs/dbraw/zinc/06/48/92/522064892.db2.gz AVQIPXVXWPDXFG-CYBMUJFWSA-N 1 3 260.381 2.236 10 30 CEEEHO C=CCN(CC=C)CCOc1cccc(C[NH2+]C)c1 ZINC000052376529 518769129 /nfs/dbraw/zinc/76/91/29/518769129.db2.gz WYKPVIGVHSLIJN-UHFFFAOYSA-N 1 3 260.381 2.459 10 30 CEEEHO CCN(Cc1ccncc1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609653 521420537 /nfs/dbraw/zinc/42/05/37/521420537.db2.gz SXXIEMJRSIQHMG-UHFFFAOYSA-N 1 3 279.387 2.414 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000049609228 523513427 /nfs/dbraw/zinc/51/34/27/523513427.db2.gz FQAOTHHVNOHWQU-AWEZNQCLSA-N 1 3 274.408 2.482 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000049609228 523513437 /nfs/dbraw/zinc/51/34/37/523513437.db2.gz FQAOTHHVNOHWQU-AWEZNQCLSA-N 1 3 274.408 2.482 10 30 CEEEHO C[C@@H]1CCC[N@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049608467 524230124 /nfs/dbraw/zinc/23/01/24/524230124.db2.gz JZLWJVDVTXPNPE-OAHLLOKOSA-N 1 3 272.392 2.108 10 30 CEEEHO C[C@@H]1CCC[N@@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049608467 524230130 /nfs/dbraw/zinc/23/01/30/524230130.db2.gz JZLWJVDVTXPNPE-OAHLLOKOSA-N 1 3 272.392 2.108 10 30 CEEEHO C[C@@H]1C[NH+](Cc2ccc(F)cc2C#CCN)C[C@H]1C ZINC000092087009 180321385 /nfs/dbraw/zinc/32/13/85/180321385.db2.gz MKPGYGAFXZKGKO-CHWSQXEVSA-N 1 3 260.356 2.224 10 30 CEEEHO CC1CC[NH+](CCOc2cccc(C#CCN)c2)CC1 ZINC000049608358 521017224 /nfs/dbraw/zinc/01/72/24/521017224.db2.gz LQVNQBZJVSCUNH-UHFFFAOYSA-N 1 3 272.392 2.108 10 30 CEEEHO CC1CCN(Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608362 521026525 /nfs/dbraw/zinc/02/65/25/521026525.db2.gz LIQSSOLYHYIDOP-UHFFFAOYSA-N 1 3 260.356 2.368 10 30 CEEEHO COc1ccc(C[N@H+](C)CCC(C)C)cc1C#CCN ZINC000049609902 524002960 /nfs/dbraw/zinc/00/29/60/524002960.db2.gz LLDOZLXNVHAMKI-UHFFFAOYSA-N 1 3 274.408 2.483 10 30 CEEEHO COc1ccc(C[N@@H+](C)CCC(C)C)cc1C#CCN ZINC000049609902 524002964 /nfs/dbraw/zinc/00/29/64/524002964.db2.gz LLDOZLXNVHAMKI-UHFFFAOYSA-N 1 3 274.408 2.483 10 30 CEEEHO C[C@H]1CCC[N@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049608468 524092700 /nfs/dbraw/zinc/09/27/00/524092700.db2.gz JZLWJVDVTXPNPE-HNNXBMFYSA-N 1 3 272.392 2.108 10 30 CEEEHO C[C@H]1CCC[N@@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049608468 524092706 /nfs/dbraw/zinc/09/27/06/524092706.db2.gz JZLWJVDVTXPNPE-HNNXBMFYSA-N 1 3 272.392 2.108 10 30 CEEEHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C#CCN)C1 ZINC000049608626 524885799 /nfs/dbraw/zinc/88/57/99/524885799.db2.gz ZNSVOAPHHKXACA-GJZGRUSLSA-N 1 3 256.393 2.475 10 30 CEEEHO CCCO[C@@H]1CCCN(Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689067 175095659 /nfs/dbraw/zinc/09/56/59/175095659.db2.gz AAPZOHYYYQIENX-OAHLLOKOSA-N 1 3 292.448 2.449 10 30 CEEEHO CC(C)[C@@H](C)[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609231 519791094 /nfs/dbraw/zinc/79/10/94/519791094.db2.gz OBINKDGOFCZURK-OAHLLOKOSA-N 1 3 274.408 2.352 10 30 CEEEHO CC(C)[C@@H](C)[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609231 519791095 /nfs/dbraw/zinc/79/10/95/519791095.db2.gz OBINKDGOFCZURK-OAHLLOKOSA-N 1 3 274.408 2.352 10 30 CEEEHO CCN(Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000049609565 521316160 /nfs/dbraw/zinc/31/61/60/521316160.db2.gz XAEXSBRKBHEXAM-QGZVFWFLSA-N 1 3 290.382 2.137 10 30 CEEEHO CC[C@H](C)C[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609014 523868146 /nfs/dbraw/zinc/86/81/46/523868146.db2.gz YEPRSCCAWITLEM-HNNXBMFYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC[C@H](C)C[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609014 523868151 /nfs/dbraw/zinc/86/81/51/523868151.db2.gz YEPRSCCAWITLEM-HNNXBMFYSA-N 1 3 274.408 2.354 10 30 CEEEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C#CCN)C1 ZINC000049608627 525209922 /nfs/dbraw/zinc/20/99/22/525209922.db2.gz ZNSVOAPHHKXACA-HUUCEWRRSA-N 1 3 256.393 2.475 10 30 CEEEHO COc1ccc(C#CCN)cc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092086990 180321239 /nfs/dbraw/zinc/32/12/39/180321239.db2.gz JHAIOVWUDYWCEM-KBPBESRZSA-N 1 3 272.392 2.093 10 30 CEEEHO CC[N@@H+](Cc1cc(C#CCN)ccc1OC)CC(C)C ZINC000049608846 521286033 /nfs/dbraw/zinc/28/60/33/521286033.db2.gz RVKQPWDDUMTULR-UHFFFAOYSA-N 1 3 274.408 2.483 10 30 CEEEHO CC[N@H+](Cc1cc(C#CCN)ccc1OC)CC(C)C ZINC000049608846 521286040 /nfs/dbraw/zinc/28/60/40/521286040.db2.gz RVKQPWDDUMTULR-UHFFFAOYSA-N 1 3 274.408 2.483 10 30 CEEEHO COc1ccc(C[N@H+](C)CC(C)C)cc1C#CCN ZINC000049608987 524002113 /nfs/dbraw/zinc/00/21/13/524002113.db2.gz PFODXNIMWIYYQE-UHFFFAOYSA-N 1 3 260.381 2.093 10 30 CEEEHO COc1ccc(C[N@@H+](C)CC(C)C)cc1C#CCN ZINC000049608987 524002114 /nfs/dbraw/zinc/00/21/14/524002114.db2.gz PFODXNIMWIYYQE-UHFFFAOYSA-N 1 3 260.381 2.093 10 30 CEEEHO C[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608397 524113362 /nfs/dbraw/zinc/11/33/62/524113362.db2.gz TYAQFLFSIRMCSX-OAHLLOKOSA-N 1 3 272.392 2.250 10 30 CEEEHO C[C@@H]1CCCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608397 524113370 /nfs/dbraw/zinc/11/33/70/524113370.db2.gz TYAQFLFSIRMCSX-OAHLLOKOSA-N 1 3 272.392 2.250 10 30 CEEEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#CCN)cc2)C1 ZINC000049608630 525211251 /nfs/dbraw/zinc/21/12/51/525211251.db2.gz MAHGCDIPTYSMCJ-HUUCEWRRSA-N 1 3 256.393 2.475 10 30 CEEEHO C[C@@H](C#N)CNCCCCCCC[NH2+]C[C@@H](C)C#N ZINC000584651684 344973424 /nfs/dbraw/zinc/97/34/24/344973424.db2.gz CKYLEPHEOONYPN-GJZGRUSLSA-N 1 3 264.417 2.435 10 30 CEEEHO COCC[N@@H+](Cc1sccc1C#CCN)CC(C)C ZINC000043684067 175091642 /nfs/dbraw/zinc/09/16/42/175091642.db2.gz HZOQMWRSRZGZSL-UHFFFAOYSA-N 1 3 280.437 2.163 10 30 CEEEHO COCC[N@H+](Cc1sccc1C#CCN)CC(C)C ZINC000043684067 175091643 /nfs/dbraw/zinc/09/16/43/175091643.db2.gz HZOQMWRSRZGZSL-UHFFFAOYSA-N 1 3 280.437 2.163 10 30 CEEEHO CC(C)N[C@](C)(C#N)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045311116 175356252 /nfs/dbraw/zinc/35/62/52/175356252.db2.gz HXHVKRBLAUARHQ-INIZCTEOSA-N 1 3 280.460 2.073 10 30 CEEEHO CCC1CC[NH+](CCOc2cccc(C#CCN)c2)CC1 ZINC000049609928 519859314 /nfs/dbraw/zinc/85/93/14/519859314.db2.gz SVINCSAGVQHVJE-UHFFFAOYSA-N 1 3 286.419 2.498 10 30 CEEEHO CC[C@@H](C)[N@H+](CC)CCOc1ccc(C#CCN)cc1 ZINC000049608933 522081632 /nfs/dbraw/zinc/08/16/32/522081632.db2.gz GZYOUUGOWQTFAZ-OAHLLOKOSA-N 1 3 274.408 2.496 10 30 CEEEHO CC[C@@H](C)[N@@H+](CC)CCOc1ccc(C#CCN)cc1 ZINC000049608933 522081642 /nfs/dbraw/zinc/08/16/42/522081642.db2.gz GZYOUUGOWQTFAZ-OAHLLOKOSA-N 1 3 274.408 2.496 10 30 CEEEHO CC[C@H](C)C[N@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049609020 523868726 /nfs/dbraw/zinc/86/87/26/523868726.db2.gz YFWBOVMOFDEHRI-AWEZNQCLSA-N 1 3 274.408 2.483 10 30 CEEEHO CC[C@H](C)C[N@@H+](C)Cc1cc(C#CCN)ccc1OC ZINC000049609020 523868732 /nfs/dbraw/zinc/86/87/32/523868732.db2.gz YFWBOVMOFDEHRI-AWEZNQCLSA-N 1 3 274.408 2.483 10 30 CEEEHO C[C@@H]1CCC[N@@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049608457 524229216 /nfs/dbraw/zinc/22/92/16/524229216.db2.gz CEOBNHRSPUBDBC-OAHLLOKOSA-N 1 3 272.392 2.108 10 30 CEEEHO C[C@@H]1CCC[N@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049608457 524229213 /nfs/dbraw/zinc/22/92/13/524229213.db2.gz CEOBNHRSPUBDBC-OAHLLOKOSA-N 1 3 272.392 2.108 10 30 CEEEHO CCCN[C@](C)(C#N)CCCCN(C)CCC[NH+](C)C ZINC000111144228 186359439 /nfs/dbraw/zinc/35/94/39/186359439.db2.gz NTQIEMWWDCEMBO-INIZCTEOSA-N 1 3 282.476 2.322 10 30 CEEEHO CC(C#N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309712551 376602917 /nfs/dbraw/zinc/60/29/17/376602917.db2.gz KOKNQQUKZQQLGQ-MWQQHZPXSA-N 1 3 297.402 2.173 10 30 CEEEHO CC(C#N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309712551 376602920 /nfs/dbraw/zinc/60/29/20/376602920.db2.gz KOKNQQUKZQQLGQ-MWQQHZPXSA-N 1 3 297.402 2.173 10 30 CEEEHO CC[N@H+](CCOc1cccc(C#CCN)c1)C(C)C ZINC000049608898 521149323 /nfs/dbraw/zinc/14/93/23/521149323.db2.gz FHZPIMDKRTVLRQ-UHFFFAOYSA-N 1 3 260.381 2.106 10 30 CEEEHO CC[N@@H+](CCOc1cccc(C#CCN)c1)C(C)C ZINC000049608898 521149329 /nfs/dbraw/zinc/14/93/29/521149329.db2.gz FHZPIMDKRTVLRQ-UHFFFAOYSA-N 1 3 260.381 2.106 10 30 CEEEHO C=CCN(CC=C)C[C@@H]1CC[C@H](C[NH2+]CCC)O1 ZINC000052376680 518770242 /nfs/dbraw/zinc/77/02/42/518770242.db2.gz AEMHLEOCLLSVEY-CABCVRRESA-N 1 3 252.402 2.208 10 30 CEEEHO CC[C@@H]1CCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608268 523267041 /nfs/dbraw/zinc/26/70/41/523267041.db2.gz FKSZPLHDLPMZFW-MRXNPFEDSA-N 1 3 272.392 2.250 10 30 CEEEHO CC[C@@H]1CCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608268 523267051 /nfs/dbraw/zinc/26/70/51/523267051.db2.gz FKSZPLHDLPMZFW-MRXNPFEDSA-N 1 3 272.392 2.250 10 30 CEEEHO COc1ccc(C#CCN)cc1C[NH+]1CCCCCC1 ZINC000049608480 523514712 /nfs/dbraw/zinc/51/47/12/523514712.db2.gz AXXCFMPMWRYWAQ-UHFFFAOYSA-N 1 3 272.392 2.381 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000049608631 523515142 /nfs/dbraw/zinc/51/51/42/523515142.db2.gz ZMULBDSTVQSMMN-GASCZTMLSA-N 1 3 286.419 2.483 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000049608631 523515150 /nfs/dbraw/zinc/51/51/50/523515150.db2.gz ZMULBDSTVQSMMN-GASCZTMLSA-N 1 3 286.419 2.483 10 30 CEEEHO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262772347 330030555 /nfs/dbraw/zinc/03/05/55/330030555.db2.gz KEXGRPZGIFGJBD-SOUVJXGZSA-N 1 3 292.471 2.214 10 30 CEEEHO CC[NH+]=C(NC1CCC1)N[C@H]1CCN(CC2CCCC2)C1 ZINC000262810395 330033134 /nfs/dbraw/zinc/03/31/34/330033134.db2.gz UYFBSCJMRXRDBN-INIZCTEOSA-N 1 3 292.471 2.359 10 30 CEEEHO CCC[N@H+](CC)CCOc1ccc(C#CCN)cc1 ZINC000049608863 521610251 /nfs/dbraw/zinc/61/02/51/521610251.db2.gz QYYHUWLGNUSQDL-UHFFFAOYSA-N 1 3 260.381 2.108 10 30 CEEEHO CCC[N@@H+](CC)CCOc1ccc(C#CCN)cc1 ZINC000049608863 521610254 /nfs/dbraw/zinc/61/02/54/521610254.db2.gz QYYHUWLGNUSQDL-UHFFFAOYSA-N 1 3 260.381 2.108 10 30 CEEEHO CC[N@@H+](Cc1cc(C#CCN)ccc1OC)CC1CC1 ZINC000069238992 521287045 /nfs/dbraw/zinc/28/70/45/521287045.db2.gz MXDWUGQVRWVVID-UHFFFAOYSA-N 1 3 272.392 2.237 10 30 CEEEHO CC[N@H+](Cc1cc(C#CCN)ccc1OC)CC1CC1 ZINC000069238992 521287054 /nfs/dbraw/zinc/28/70/54/521287054.db2.gz MXDWUGQVRWVVID-UHFFFAOYSA-N 1 3 272.392 2.237 10 30 CEEEHO CC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#CCN)c1 ZINC000049608267 523109581 /nfs/dbraw/zinc/10/95/81/523109581.db2.gz PFSPWTPTQMTODW-INIZCTEOSA-N 1 3 272.392 2.380 10 30 CEEEHO CC[C@H]1CCC[N@H+]1Cc1ccc(OC)c(C#CCN)c1 ZINC000049608267 523109597 /nfs/dbraw/zinc/10/95/97/523109597.db2.gz PFSPWTPTQMTODW-INIZCTEOSA-N 1 3 272.392 2.380 10 30 CEEEHO CN(Cc1cc(F)ccc1C#N)C1CCC([NH3+])CC1 ZINC000091848038 180271289 /nfs/dbraw/zinc/27/12/89/180271289.db2.gz WRWYRNWZEJPQOF-UHFFFAOYSA-N 1 3 261.344 2.399 10 30 CEEEHO C[C@@H](C[C@](C)(C#N)NC1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000068612632 524860982 /nfs/dbraw/zinc/86/09/82/524860982.db2.gz NMFCAEKCIPPSMD-WMLDXEAASA-N 1 3 292.471 2.073 10 30 CEEEHO CC[NH+]=C(NC[C@H]1CCCN1CC(C)C)N1CCCC1 ZINC000156567134 639360831 /nfs/dbraw/zinc/36/08/31/639360831.db2.gz JLXQVZCUGRAWTG-OAHLLOKOSA-N 1 3 280.460 2.168 10 30 CEEEHO CC(C)CN1CCCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000160809809 264261759 /nfs/dbraw/zinc/26/17/59/264261759.db2.gz PVZKAGOIHCREMJ-ZDUSSCGKSA-N 1 3 268.449 2.200 10 30 CEEEHO CN[C@](C)(C#N)C[C@@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000068615413 522512272 /nfs/dbraw/zinc/51/22/72/522512272.db2.gz KRKWTOQLSFJSSY-WBVHZDCISA-N 1 3 292.471 2.074 10 30 CEEEHO CC[N@@H+](Cc1ccc(F)cc1C#CCN)CC1CC1 ZINC000069238984 521314518 /nfs/dbraw/zinc/31/45/18/521314518.db2.gz YVQNYFMGYUJRKX-UHFFFAOYSA-N 1 3 260.356 2.368 10 30 CEEEHO CC[N@H+](Cc1ccc(F)cc1C#CCN)CC1CC1 ZINC000069238984 521314526 /nfs/dbraw/zinc/31/45/26/521314526.db2.gz YVQNYFMGYUJRKX-UHFFFAOYSA-N 1 3 260.356 2.368 10 30 CEEEHO CCOC1CCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683812 175091876 /nfs/dbraw/zinc/09/18/76/175091876.db2.gz FIHSHKFLKCNILD-UHFFFAOYSA-N 1 3 278.421 2.059 10 30 CEEEHO CC[C@@H](C)[N@H+](CCOC)Cc1ccc(C#CCN)s1 ZINC000043684187 175093258 /nfs/dbraw/zinc/09/32/58/175093258.db2.gz OPZVQJDRISYVKN-CYBMUJFWSA-N 1 3 280.437 2.305 10 30 CEEEHO CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(C#CCN)s1 ZINC000043684187 175093259 /nfs/dbraw/zinc/09/32/59/175093259.db2.gz OPZVQJDRISYVKN-CYBMUJFWSA-N 1 3 280.437 2.305 10 30 CEEEHO CN(Cc1sccc1C#CC[NH3+])C[C@H]1CCCCO1 ZINC000043683815 175092314 /nfs/dbraw/zinc/09/23/14/175092314.db2.gz QVGZTRCXADWYSW-CQSZACIVSA-N 1 3 278.421 2.059 10 30 CEEEHO CCC[N@@H+]1CCC[C@](C#N)(NCCN(CC)CC)CC1 ZINC000086849281 179358597 /nfs/dbraw/zinc/35/85/97/179358597.db2.gz SJMYSCOJACVQJT-INIZCTEOSA-N 1 3 280.460 2.076 10 30 CEEEHO CCC[N@H+]1CCC[C@](C#N)(NCCN(CC)CC)CC1 ZINC000086849281 179358599 /nfs/dbraw/zinc/35/85/99/179358599.db2.gz SJMYSCOJACVQJT-INIZCTEOSA-N 1 3 280.460 2.076 10 30 CEEEHO NCC#Cc1ccc(C[N@H+](CCO)C2CCCCC2)s1 ZINC000043684171 175092760 /nfs/dbraw/zinc/09/27/60/175092760.db2.gz LCQBEQKBTAJGPC-UHFFFAOYSA-N 1 3 292.448 2.185 10 30 CEEEHO NCC#Cc1ccc(C[N@@H+](CCO)C2CCCCC2)s1 ZINC000043684171 175092762 /nfs/dbraw/zinc/09/27/62/175092762.db2.gz LCQBEQKBTAJGPC-UHFFFAOYSA-N 1 3 292.448 2.185 10 30 CEEEHO CCCN[C@](C)(C#N)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045311110 175356598 /nfs/dbraw/zinc/35/65/98/175356598.db2.gz KWTUMGFBKXDRQO-INIZCTEOSA-N 1 3 280.460 2.074 10 30 CEEEHO C[NH+]=C(NCC1CCCC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262741818 330029132 /nfs/dbraw/zinc/02/91/32/330029132.db2.gz DULRHBVTYGMHOU-HNNXBMFYSA-N 1 3 292.471 2.359 10 30 CEEEHO C=CCN(CC=C)C[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052376709 518770225 /nfs/dbraw/zinc/77/02/25/518770225.db2.gz XORGQDWDYQKOJB-CVEARBPZSA-N 1 3 266.429 2.454 10 30 CEEEHO CC1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608361 521026105 /nfs/dbraw/zinc/02/61/05/521026105.db2.gz XZGPCKQXSMZJGG-UHFFFAOYSA-N 1 3 260.356 2.368 10 30 CEEEHO CC[C@H](C)C[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609024 523867741 /nfs/dbraw/zinc/86/77/41/523867741.db2.gz PLYVLTRRJWGKRZ-HNNXBMFYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC[C@H](C)C[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609024 523867746 /nfs/dbraw/zinc/86/77/46/523867746.db2.gz PLYVLTRRJWGKRZ-HNNXBMFYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC[C@H](C)[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049608834 523923132 /nfs/dbraw/zinc/92/31/32/523923132.db2.gz BDQSUVFNUZGNRS-AWEZNQCLSA-N 1 3 260.381 2.106 10 30 CEEEHO CC[C@H](C)[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049608834 523923137 /nfs/dbraw/zinc/92/31/37/523923137.db2.gz BDQSUVFNUZGNRS-AWEZNQCLSA-N 1 3 260.381 2.106 10 30 CEEEHO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#CCN ZINC000049608634 524042214 /nfs/dbraw/zinc/04/22/14/524042214.db2.gz CIXYDANHDZLVIF-GASCZTMLSA-N 1 3 286.419 2.483 10 30 CEEEHO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#CCN ZINC000049608634 524042215 /nfs/dbraw/zinc/04/22/15/524042215.db2.gz CIXYDANHDZLVIF-GASCZTMLSA-N 1 3 286.419 2.483 10 30 CEEEHO C[NH+]=C(NCc1cccs1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261937290 629346573 /nfs/dbraw/zinc/34/65/73/629346573.db2.gz CSAMTBNRYZHZLH-GXTWGEPZSA-N 1 3 294.468 2.142 10 30 CEEEHO CN(Cc1ccc(F)cc1C#N)C1CCC([NH3+])CC1 ZINC000091846417 180270261 /nfs/dbraw/zinc/27/02/61/180270261.db2.gz WKEUGGXJWAQDRG-UHFFFAOYSA-N 1 3 261.344 2.399 10 30 CEEEHO COc1ccc(C#CCN)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000092086993 180321123 /nfs/dbraw/zinc/32/11/23/180321123.db2.gz GGOJRPUBUCQFTG-KBPBESRZSA-N 1 3 272.392 2.093 10 30 CEEEHO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262396332 330012561 /nfs/dbraw/zinc/01/25/61/330012561.db2.gz MYXHZDFZCNBROS-CQSZACIVSA-N 1 3 292.471 2.359 10 30 CEEEHO C[N@H+](CCc1ccccn1)Cc1ccc(C#CCN)cc1 ZINC000049608776 522964726 /nfs/dbraw/zinc/96/47/26/522964726.db2.gz FLLXHHBUPVPIRL-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO C[N@@H+](CCc1ccccn1)Cc1ccc(C#CCN)cc1 ZINC000049608776 522964738 /nfs/dbraw/zinc/96/47/38/522964738.db2.gz FLLXHHBUPVPIRL-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO CN(Cc1ccc(F)c(C#CC[NH3+])c1)C[C@@H]1CCCCO1 ZINC000049609534 523238531 /nfs/dbraw/zinc/23/85/31/523238531.db2.gz CUAABPJCAASFHL-INIZCTEOSA-N 1 3 290.382 2.137 10 30 CEEEHO CC[C@H](C)[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049608824 523923420 /nfs/dbraw/zinc/92/34/20/523923420.db2.gz RMALEIWJOQVUER-AWEZNQCLSA-N 1 3 260.381 2.106 10 30 CEEEHO CC[C@H](C)[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049608824 523923423 /nfs/dbraw/zinc/92/34/23/523923423.db2.gz RMALEIWJOQVUER-AWEZNQCLSA-N 1 3 260.381 2.106 10 30 CEEEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000050566694 525639136 /nfs/dbraw/zinc/63/91/36/525639136.db2.gz UCUOLLNSCRATOG-JKSUJKDBSA-N 1 3 286.419 2.496 10 30 CEEEHO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000050566694 525639144 /nfs/dbraw/zinc/63/91/44/525639144.db2.gz UCUOLLNSCRATOG-JKSUJKDBSA-N 1 3 286.419 2.496 10 30 CEEEHO C[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245614529 624956372 /nfs/dbraw/zinc/95/63/72/624956372.db2.gz MDFUXRUHCZFZIG-BZUAXINKSA-N 1 3 292.471 2.236 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092086989 180321431 /nfs/dbraw/zinc/32/14/31/180321431.db2.gz JHAIOVWUDYWCEM-OKILXGFUSA-N 1 3 272.392 2.093 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092086989 180321433 /nfs/dbraw/zinc/32/14/33/180321433.db2.gz JHAIOVWUDYWCEM-OKILXGFUSA-N 1 3 272.392 2.093 10 30 CEEEHO CCC[N@H+](CC)CCOc1cccc(C#CCN)c1 ZINC000049608868 521609852 /nfs/dbraw/zinc/60/98/52/521609852.db2.gz HFVFMFSHLPKVAV-UHFFFAOYSA-N 1 3 260.381 2.108 10 30 CEEEHO CCC[N@@H+](CC)CCOc1cccc(C#CCN)c1 ZINC000049608868 521609856 /nfs/dbraw/zinc/60/98/56/521609856.db2.gz HFVFMFSHLPKVAV-UHFFFAOYSA-N 1 3 260.381 2.108 10 30 CEEEHO C[N@H+](CCOc1cccc(C#CCN)c1)C1CCCC1 ZINC000049608928 522910801 /nfs/dbraw/zinc/91/08/01/522910801.db2.gz UKEZGHGVLORHIY-UHFFFAOYSA-N 1 3 272.392 2.250 10 30 CEEEHO C[N@@H+](CCOc1cccc(C#CCN)c1)C1CCCC1 ZINC000049608928 522910807 /nfs/dbraw/zinc/91/08/07/522910807.db2.gz UKEZGHGVLORHIY-UHFFFAOYSA-N 1 3 272.392 2.250 10 30 CEEEHO C[N@H+](CCc1ccncc1)Cc1ccc(C#CCN)cc1 ZINC000049609396 522976619 /nfs/dbraw/zinc/97/66/19/522976619.db2.gz CRHRHTGSNRRYQP-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO C[N@@H+](CCc1ccncc1)Cc1ccc(C#CCN)cc1 ZINC000049609396 522976627 /nfs/dbraw/zinc/97/66/27/522976627.db2.gz CRHRHTGSNRRYQP-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1C#CCN ZINC000092087001 180321528 /nfs/dbraw/zinc/32/15/28/180321528.db2.gz RUFJTFUVMRVBNI-OKILXGFUSA-N 1 3 272.392 2.093 10 30 CEEEHO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1C#CCN ZINC000092087001 180321531 /nfs/dbraw/zinc/32/15/31/180321531.db2.gz RUFJTFUVMRVBNI-OKILXGFUSA-N 1 3 272.392 2.093 10 30 CEEEHO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@H]1CCN(C2CCCC2)C1 ZINC000262772334 330030582 /nfs/dbraw/zinc/03/05/82/330030582.db2.gz KEXGRPZGIFGJBD-KKUMJFAQSA-N 1 3 292.471 2.214 10 30 CEEEHO C=CCN(CC=C)C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052376682 518771427 /nfs/dbraw/zinc/77/14/27/518771427.db2.gz AUJTVKHIMJGKHA-LSDHHAIUSA-N 1 3 252.402 2.206 10 30 CEEEHO CC[N@H+](Cc1ccc(OC)c(C#CCN)c1)C(C)C ZINC000049608897 521323414 /nfs/dbraw/zinc/32/34/14/521323414.db2.gz BMCMCSOPBPMFEE-UHFFFAOYSA-N 1 3 260.381 2.236 10 30 CEEEHO CC[N@@H+](Cc1ccc(OC)c(C#CCN)c1)C(C)C ZINC000049608897 521323422 /nfs/dbraw/zinc/32/34/22/521323422.db2.gz BMCMCSOPBPMFEE-UHFFFAOYSA-N 1 3 260.381 2.236 10 30 CEEEHO CCN(Cc1ccncc1)Cc1cccc(C#CC[NH3+])c1 ZINC000049609654 521422707 /nfs/dbraw/zinc/42/27/07/521422707.db2.gz MBUFDAKMTPGSCN-UHFFFAOYSA-N 1 3 279.387 2.414 10 30 CEEEHO CC[C@@H]1CCC[N@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049609267 523248635 /nfs/dbraw/zinc/24/86/35/523248635.db2.gz FPRNFIVQHYKGDA-MRXNPFEDSA-N 1 3 286.419 2.498 10 30 CEEEHO CC[C@@H]1CCC[N@@H+](CCOc2cccc(C#CCN)c2)C1 ZINC000049609267 523248643 /nfs/dbraw/zinc/24/86/43/523248643.db2.gz FPRNFIVQHYKGDA-MRXNPFEDSA-N 1 3 286.419 2.498 10 30 CEEEHO CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#CCN)c1 ZINC000049608266 523268619 /nfs/dbraw/zinc/26/86/19/523268619.db2.gz PFSPWTPTQMTODW-MRXNPFEDSA-N 1 3 272.392 2.380 10 30 CEEEHO CC[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(C#CCN)c1 ZINC000049608266 523268627 /nfs/dbraw/zinc/26/86/27/523268627.db2.gz PFSPWTPTQMTODW-MRXNPFEDSA-N 1 3 272.392 2.380 10 30 CEEEHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#CCN)cc2)C1 ZINC000049608629 524883811 /nfs/dbraw/zinc/88/38/11/524883811.db2.gz MAHGCDIPTYSMCJ-GJZGRUSLSA-N 1 3 256.393 2.475 10 30 CEEEHO CN1CC[C@@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037210 179221296 /nfs/dbraw/zinc/22/12/96/179221296.db2.gz LUHAHYVRPAJEIZ-OOHWJJMZSA-N 1 3 269.392 2.152 10 30 CEEEHO CCC(CC)[N@H+](CCO)Cc1ccc(C#CCN)s1 ZINC000043684169 175092637 /nfs/dbraw/zinc/09/26/37/175092637.db2.gz ZMZSRBGFVJYIRR-UHFFFAOYSA-N 1 3 280.437 2.041 10 30 CEEEHO CCC(CC)[N@@H+](CCO)Cc1ccc(C#CCN)s1 ZINC000043684169 175092639 /nfs/dbraw/zinc/09/26/39/175092639.db2.gz ZMZSRBGFVJYIRR-UHFFFAOYSA-N 1 3 280.437 2.041 10 30 CEEEHO CCC[C@H](C)[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609306 521033300 /nfs/dbraw/zinc/03/33/00/521033300.db2.gz WYRBCXUWSLIWRH-HNNXBMFYSA-N 1 3 274.408 2.496 10 30 CEEEHO CCC[C@H](C)[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609306 521033312 /nfs/dbraw/zinc/03/33/12/521033312.db2.gz WYRBCXUWSLIWRH-HNNXBMFYSA-N 1 3 274.408 2.496 10 30 CEEEHO COc1ccc(C#CCN)cc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000049608633 523513107 /nfs/dbraw/zinc/51/31/07/523513107.db2.gz ZMULBDSTVQSMMN-HUUCEWRRSA-N 1 3 286.419 2.483 10 30 CEEEHO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609219 524320915 /nfs/dbraw/zinc/32/09/15/524320915.db2.gz GROGFHYMFQAQDL-LBPRGKRZSA-N 1 3 260.356 2.366 10 30 CEEEHO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049609219 524320922 /nfs/dbraw/zinc/32/09/22/524320922.db2.gz GROGFHYMFQAQDL-LBPRGKRZSA-N 1 3 260.356 2.366 10 30 CEEEHO CN1CC[C@H](C[NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037203 179221780 /nfs/dbraw/zinc/22/17/80/179221780.db2.gz LUHAHYVRPAJEIZ-ODIFPOPNSA-N 1 3 269.392 2.152 10 30 CEEEHO CCCO[C@@H]1CCCN(Cc2sccc2C#CC[NH3+])C1 ZINC000043684101 175092442 /nfs/dbraw/zinc/09/24/42/175092442.db2.gz OTDIRLWMEOSUNK-OAHLLOKOSA-N 1 3 292.448 2.449 10 30 CEEEHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263269314 330051370 /nfs/dbraw/zinc/05/13/70/330051370.db2.gz OPSRHKUWHLWSLO-ZIAGYGMSSA-N 1 3 278.444 2.098 10 30 CEEEHO CC[N@@H+](CCOc1ccc(C#CCN)cc1)CC(C)C ZINC000049608843 521149450 /nfs/dbraw/zinc/14/94/50/521149450.db2.gz XMUBAOJPUFEFAT-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC[N@H+](CCOc1ccc(C#CCN)cc1)CC(C)C ZINC000049608843 521149444 /nfs/dbraw/zinc/14/94/44/521149444.db2.gz XMUBAOJPUFEFAT-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC[C@H](C)[N@H+](CCOC)Cc1sccc1C#CCN ZINC000043684190 175092945 /nfs/dbraw/zinc/09/29/45/175092945.db2.gz DCCNQANMNLHDBT-ZDUSSCGKSA-N 1 3 280.437 2.305 10 30 CEEEHO CC[C@H](C)[N@@H+](CCOC)Cc1sccc1C#CCN ZINC000043684190 175092946 /nfs/dbraw/zinc/09/29/46/175092946.db2.gz DCCNQANMNLHDBT-ZDUSSCGKSA-N 1 3 280.437 2.305 10 30 CEEEHO CCO[C@H]1CCCN(Cc2sccc2C#CC[NH3+])C1 ZINC000043684110 175093168 /nfs/dbraw/zinc/09/31/68/175093168.db2.gz ZCBGHMCTHGFYBO-AWEZNQCLSA-N 1 3 278.421 2.059 10 30 CEEEHO CCCN[C@@](C)(C#N)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045311113 175356386 /nfs/dbraw/zinc/35/63/86/175356386.db2.gz KWTUMGFBKXDRQO-MRXNPFEDSA-N 1 3 280.460 2.074 10 30 CEEEHO COc1ccc(C[NH+]2CCCCCC2)cc1C#CCN ZINC000049608481 524025442 /nfs/dbraw/zinc/02/54/42/524025442.db2.gz MYZPGERBTOMBLA-UHFFFAOYSA-N 1 3 272.392 2.381 10 30 CEEEHO CCCN(Cc1cccnc1C#N)C1CCC([NH3+])CC1 ZINC000091852623 180272684 /nfs/dbraw/zinc/27/26/84/180272684.db2.gz GVTPAUKIJUGWRU-UHFFFAOYSA-N 1 3 272.396 2.435 10 30 CEEEHO COc1ccc(C[N@H+](C)CC(C)(C)C)cc1C#CCN ZINC000045086734 175304510 /nfs/dbraw/zinc/30/45/10/175304510.db2.gz HBJFCDMBSVPRPL-UHFFFAOYSA-N 1 3 274.408 2.483 10 30 CEEEHO COc1ccc(C[N@@H+](C)CC(C)(C)C)cc1C#CCN ZINC000045086734 175304511 /nfs/dbraw/zinc/30/45/11/175304511.db2.gz HBJFCDMBSVPRPL-UHFFFAOYSA-N 1 3 274.408 2.483 10 30 CEEEHO CCCN[C@@](C)(C#N)C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612653 520031364 /nfs/dbraw/zinc/03/13/64/520031364.db2.gz RSPOSUQXXXZYTK-DOTOQJQBSA-N 1 3 294.487 2.320 10 30 CEEEHO CCC(CC)[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609252 521542096 /nfs/dbraw/zinc/54/20/96/521542096.db2.gz URNZQTNCHXSBHF-UHFFFAOYSA-N 1 3 274.408 2.496 10 30 CEEEHO CCC(CC)[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609252 521542088 /nfs/dbraw/zinc/54/20/88/521542088.db2.gz URNZQTNCHXSBHF-UHFFFAOYSA-N 1 3 274.408 2.496 10 30 CEEEHO C[C@@H](C1CC1)[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609211 524320138 /nfs/dbraw/zinc/32/01/38/524320138.db2.gz VJXRYEYRDRTFNY-AWEZNQCLSA-N 1 3 272.392 2.106 10 30 CEEEHO C[C@@H](C1CC1)[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609211 524320146 /nfs/dbraw/zinc/32/01/46/524320146.db2.gz VJXRYEYRDRTFNY-AWEZNQCLSA-N 1 3 272.392 2.106 10 30 CEEEHO CC[C@@H](C)[N@H+](CCOC)Cc1cc(C#CCN)cs1 ZINC000043689104 175095619 /nfs/dbraw/zinc/09/56/19/175095619.db2.gz UJXZEYFAYFVDTN-CYBMUJFWSA-N 1 3 280.437 2.305 10 30 CEEEHO CC[C@@H](C)[N@@H+](CCOC)Cc1cc(C#CCN)cs1 ZINC000043689104 175095620 /nfs/dbraw/zinc/09/56/20/175095620.db2.gz UJXZEYFAYFVDTN-CYBMUJFWSA-N 1 3 280.437 2.305 10 30 CEEEHO CC[NH+]=C(NCC(C)(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000179199280 329206133 /nfs/dbraw/zinc/20/61/33/329206133.db2.gz FLUOCTWUPQLXCZ-UONOGXRCSA-N 1 3 282.476 2.316 10 30 CEEEHO CC[NH+]=C(NC[C@H](C)N1CCC[C@H](C)C1)N[C@@H]1C[C@H]1C ZINC000262689741 330027395 /nfs/dbraw/zinc/02/73/95/330027395.db2.gz BZFOINNOYQUAOU-LJISPDSOSA-N 1 3 280.460 2.070 10 30 CEEEHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCC12CCCC2 ZINC000263269311 330051271 /nfs/dbraw/zinc/05/12/71/330051271.db2.gz OPSRHKUWHLWSLO-KBPBESRZSA-N 1 3 278.444 2.098 10 30 CEEEHO CC[C@@H](C)C[N@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609021 521970832 /nfs/dbraw/zinc/97/08/32/521970832.db2.gz ODFFNGYLRHBWFX-CQSZACIVSA-N 1 3 274.408 2.483 10 30 CEEEHO CC[C@@H](C)C[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609021 521970838 /nfs/dbraw/zinc/97/08/38/521970838.db2.gz ODFFNGYLRHBWFX-CQSZACIVSA-N 1 3 274.408 2.483 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@H+](C)CC(C)C ZINC000049608986 523513608 /nfs/dbraw/zinc/51/36/08/523513608.db2.gz QVEVAMJPPDZQLN-UHFFFAOYSA-N 1 3 260.381 2.093 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@@H+](C)CC(C)C ZINC000049608986 523513633 /nfs/dbraw/zinc/51/36/33/523513633.db2.gz QVEVAMJPPDZQLN-UHFFFAOYSA-N 1 3 260.381 2.093 10 30 CEEEHO C[C@@H]1C[C@@H](C)C[NH+](CCOc2cccc(C#CCN)c2)C1 ZINC000049608639 525210140 /nfs/dbraw/zinc/21/01/40/525210140.db2.gz UPCZAGKAIPDVIO-HZPDHXFCSA-N 1 3 286.419 2.354 10 30 CEEEHO C[C@@H]1C[NH+](Cc2ccc(F)c(C#CCN)c2)C[C@H]1C ZINC000092087006 180321283 /nfs/dbraw/zinc/32/12/83/180321283.db2.gz VMKHTXNOULCWCI-CHWSQXEVSA-N 1 3 260.356 2.224 10 30 CEEEHO C[C@H]1CCC[N@H+](CCOc2ccc(C#CCN)cc2)CC1 ZINC000110808304 186325998 /nfs/dbraw/zinc/32/59/98/186325998.db2.gz FROKVWFTSYMMHV-INIZCTEOSA-N 1 3 286.419 2.498 10 30 CEEEHO C[C@H]1CCC[N@@H+](CCOc2ccc(C#CCN)cc2)CC1 ZINC000110808304 186326000 /nfs/dbraw/zinc/32/60/00/186326000.db2.gz FROKVWFTSYMMHV-INIZCTEOSA-N 1 3 286.419 2.498 10 30 CEEEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000130838398 264368911 /nfs/dbraw/zinc/36/89/11/264368911.db2.gz BIAYMBSCSBAYIA-HUUCEWRRSA-N 1 3 280.460 2.153 10 30 CEEEHO CC[NH+]=C(NCC(C)(C)N1CCCCC1)N[C@@H]1C[C@@H]1C ZINC000262225190 330002146 /nfs/dbraw/zinc/00/21/46/330002146.db2.gz MBWWYLHWHCHCGP-UONOGXRCSA-N 1 3 280.460 2.214 10 30 CEEEHO COc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1C#CCN ZINC000049608396 524026844 /nfs/dbraw/zinc/02/68/44/524026844.db2.gz ASYKZXDZXUVAEK-AWEZNQCLSA-N 1 3 272.392 2.380 10 30 CEEEHO COc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1C#CCN ZINC000049608396 524026847 /nfs/dbraw/zinc/02/68/47/524026847.db2.gz ASYKZXDZXUVAEK-AWEZNQCLSA-N 1 3 272.392 2.380 10 30 CEEEHO C[C@H]1C[C@H](C)C[NH+](CCOc2cccc(C#CCN)c2)C1 ZINC000049608638 524886093 /nfs/dbraw/zinc/88/60/93/524886093.db2.gz UPCZAGKAIPDVIO-HOTGVXAUSA-N 1 3 286.419 2.354 10 30 CEEEHO CC(C)CN1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000130838607 264369330 /nfs/dbraw/zinc/36/93/30/264369330.db2.gz BIAYMBSCSBAYIA-LSDHHAIUSA-N 1 3 280.460 2.153 10 30 CEEEHO CC[NH+]=C(NC[C@H](C)N1CCCC[C@@H]1C)N[C@@H]1C[C@H]1C ZINC000262765234 330030198 /nfs/dbraw/zinc/03/01/98/330030198.db2.gz GGWXNIIOKYCKQD-CBBWQLFWSA-N 1 3 280.460 2.213 10 30 CEEEHO NCC#Cc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000049608477 527151753 /nfs/dbraw/zinc/15/17/53/527151753.db2.gz SESRXJSWTIUEJL-UHFFFAOYSA-N 1 3 272.392 2.252 10 30 CEEEHO C[NH+]=C(NCCC1=CCCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261935053 629345352 /nfs/dbraw/zinc/34/53/52/629345352.db2.gz CGCLBEVFKHNBER-GDBMZVCRSA-N 1 3 292.471 2.381 10 30 CEEEHO COc1ccc(C#CCN)c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000092086994 180321681 /nfs/dbraw/zinc/32/16/81/180321681.db2.gz GGOJRPUBUCQFTG-ZIAGYGMSSA-N 1 3 272.392 2.093 10 30 CEEEHO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#CCN)C[C@H]1C ZINC000092087007 180321792 /nfs/dbraw/zinc/32/17/92/180321792.db2.gz MKPGYGAFXZKGKO-BETUJISGSA-N 1 3 260.356 2.224 10 30 CEEEHO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#CCN)C[C@H]1C ZINC000092087007 180321793 /nfs/dbraw/zinc/32/17/93/180321793.db2.gz MKPGYGAFXZKGKO-BETUJISGSA-N 1 3 260.356 2.224 10 30 CEEEHO CCN[C@@](C)(C#N)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045311149 175356681 /nfs/dbraw/zinc/35/66/81/175356681.db2.gz XTVSKUJGBSNSHJ-MRXNPFEDSA-N 1 3 280.460 2.074 10 30 CEEEHO CC[NH+]=C(NC1CCC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262784728 330031267 /nfs/dbraw/zinc/03/12/67/330031267.db2.gz MAGXOQXTOIRMJC-AWEZNQCLSA-N 1 3 278.444 2.111 10 30 CEEEHO C[N@H+](CCOc1ccc(C#CCN)cc1)C1CCCC1 ZINC000049608923 522904167 /nfs/dbraw/zinc/90/41/67/522904167.db2.gz GWBORPJXNXNUKL-UHFFFAOYSA-N 1 3 272.392 2.250 10 30 CEEEHO C[N@@H+](CCOc1ccc(C#CCN)cc1)C1CCCC1 ZINC000049608923 522904173 /nfs/dbraw/zinc/90/41/73/522904173.db2.gz GWBORPJXNXNUKL-UHFFFAOYSA-N 1 3 272.392 2.250 10 30 CEEEHO CC[C@H]1CCC[N@@H+]1Cc1cc(C#CCN)ccc1OC ZINC000049608265 523107181 /nfs/dbraw/zinc/10/71/81/523107181.db2.gz HSIJCLXYFGSUAI-INIZCTEOSA-N 1 3 272.392 2.380 10 30 CEEEHO CC[C@H]1CCC[N@H+]1Cc1cc(C#CCN)ccc1OC ZINC000049608265 523107186 /nfs/dbraw/zinc/10/71/86/523107186.db2.gz HSIJCLXYFGSUAI-INIZCTEOSA-N 1 3 272.392 2.380 10 30 CEEEHO C[C@H]1C[NH+](Cc2ccc(F)cc2C#CCN)C[C@@H]1C ZINC000092087008 180321419 /nfs/dbraw/zinc/32/14/19/180321419.db2.gz MKPGYGAFXZKGKO-STQMWFEESA-N 1 3 260.356 2.224 10 30 CEEEHO COc1ccc(C#CCN)c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092086992 180321602 /nfs/dbraw/zinc/32/16/02/180321602.db2.gz GGOJRPUBUCQFTG-OKILXGFUSA-N 1 3 272.392 2.093 10 30 CEEEHO COc1ccc(C#CCN)c(C[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092086992 180321605 /nfs/dbraw/zinc/32/16/05/180321605.db2.gz GGOJRPUBUCQFTG-OKILXGFUSA-N 1 3 272.392 2.093 10 30 CEEEHO CCCO[C@H]1CCCN(Cc2sccc2C#CC[NH3+])C1 ZINC000043684102 175092285 /nfs/dbraw/zinc/09/22/85/175092285.db2.gz OTDIRLWMEOSUNK-HNNXBMFYSA-N 1 3 292.448 2.449 10 30 CEEEHO CCCO[C@H]1CCCN(Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689069 175095350 /nfs/dbraw/zinc/09/53/50/175095350.db2.gz AAPZOHYYYQIENX-HNNXBMFYSA-N 1 3 292.448 2.449 10 30 CEEEHO C=CCN(CC=C)C[C@@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000052376687 518770481 /nfs/dbraw/zinc/77/04/81/518770481.db2.gz AUJTVKHIMJGKHA-CABCVRRESA-N 1 3 252.402 2.206 10 30 CEEEHO CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000068612679 519735497 /nfs/dbraw/zinc/73/54/97/519735497.db2.gz PFRWNLHHCSTKBZ-NVXWUHKLSA-N 1 3 294.487 2.319 10 30 CEEEHO C[N@H+](CCc1ccccn1)Cc1cccc(C#CCN)c1 ZINC000049608777 522965235 /nfs/dbraw/zinc/96/52/35/522965235.db2.gz ZQNJHHHNWOJRSW-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO C[N@@H+](CCc1ccccn1)Cc1cccc(C#CCN)c1 ZINC000049608777 522965237 /nfs/dbraw/zinc/96/52/37/522965237.db2.gz ZQNJHHHNWOJRSW-UHFFFAOYSA-N 1 3 279.387 2.066 10 30 CEEEHO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261990099 629413524 /nfs/dbraw/zinc/41/35/24/629413524.db2.gz RCRLGIMCAQFGJV-UONOGXRCSA-N 1 3 280.460 2.070 10 30 CEEEHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCC12CCCC2 ZINC000263269313 330051408 /nfs/dbraw/zinc/05/14/08/330051408.db2.gz OPSRHKUWHLWSLO-UONOGXRCSA-N 1 3 278.444 2.098 10 30 CEEEHO CC1CC[NH+](CCOc2ccc(C#CCN)cc2)CC1 ZINC000049608353 521016196 /nfs/dbraw/zinc/01/61/96/521016196.db2.gz CNLPACDZUXWMHU-UHFFFAOYSA-N 1 3 272.392 2.108 10 30 CEEEHO CC[N@@H+](Cc1ccc(OC)c(C#CCN)c1)CC(C)C ZINC000049608847 521322404 /nfs/dbraw/zinc/32/24/04/521322404.db2.gz ANDDGNPUPFBMQA-UHFFFAOYSA-N 1 3 274.408 2.483 10 30 CEEEHO CC[N@H+](Cc1ccc(OC)c(C#CCN)c1)CC(C)C ZINC000049608847 521322409 /nfs/dbraw/zinc/32/24/09/521322409.db2.gz ANDDGNPUPFBMQA-UHFFFAOYSA-N 1 3 274.408 2.483 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@H+](C)C1CCCC1 ZINC000049608926 523514354 /nfs/dbraw/zinc/51/43/54/523514354.db2.gz XEAVJXOJDAUFED-UHFFFAOYSA-N 1 3 272.392 2.380 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@@H+](C)C1CCCC1 ZINC000049608926 523514364 /nfs/dbraw/zinc/51/43/64/523514364.db2.gz XEAVJXOJDAUFED-UHFFFAOYSA-N 1 3 272.392 2.380 10 30 CEEEHO COc1ccc(C[N@H+](C)C2CCCC2)cc1C#CCN ZINC000049608927 524002350 /nfs/dbraw/zinc/00/23/50/524002350.db2.gz KXUCYUVAUAQXBJ-UHFFFAOYSA-N 1 3 272.392 2.380 10 30 CEEEHO COc1ccc(C[N@@H+](C)C2CCCC2)cc1C#CCN ZINC000049608927 524002355 /nfs/dbraw/zinc/00/23/55/524002355.db2.gz KXUCYUVAUAQXBJ-UHFFFAOYSA-N 1 3 272.392 2.380 10 30 CEEEHO COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C#CCN ZINC000049608636 524041951 /nfs/dbraw/zinc/04/19/51/524041951.db2.gz CIXYDANHDZLVIF-HUUCEWRRSA-N 1 3 286.419 2.483 10 30 CEEEHO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049608624 525211427 /nfs/dbraw/zinc/21/14/27/525211427.db2.gz KQBFGMMXNGTDSN-HZPDHXFCSA-N 1 3 286.419 2.354 10 30 CEEEHO NCC#Cc1csc(C[N@H+](CCO)C2CCCCC2)c1 ZINC000043689096 175096067 /nfs/dbraw/zinc/09/60/67/175096067.db2.gz YIXOJQLNMXGEPW-UHFFFAOYSA-N 1 3 292.448 2.185 10 30 CEEEHO NCC#Cc1csc(C[N@@H+](CCO)C2CCCCC2)c1 ZINC000043689096 175096068 /nfs/dbraw/zinc/09/60/68/175096068.db2.gz YIXOJQLNMXGEPW-UHFFFAOYSA-N 1 3 292.448 2.185 10 30 CEEEHO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261990100 629414310 /nfs/dbraw/zinc/41/43/10/629414310.db2.gz RCRLGIMCAQFGJV-ZIAGYGMSSA-N 1 3 280.460 2.070 10 30 CEEEHO CCO[C@@H]1CCCN(Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043689071 175095269 /nfs/dbraw/zinc/09/52/69/175095269.db2.gz HCKWPBSFCVPCBZ-CQSZACIVSA-N 1 3 278.421 2.059 10 30 CEEEHO C=CCN(CC=C)C[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052376706 518771579 /nfs/dbraw/zinc/77/15/79/518771579.db2.gz XORGQDWDYQKOJB-HZPDHXFCSA-N 1 3 266.429 2.454 10 30 CEEEHO CCN[C@@](C)(C#N)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062034654 520128881 /nfs/dbraw/zinc/12/88/81/520128881.db2.gz YGFQBVSTSRFRLK-QGZVFWFLSA-N 1 3 292.471 2.076 10 30 CEEEHO CCC[N@H+](CCOc1ccc(C#CCN)cc1)C(C)C ZINC000049608953 521669640 /nfs/dbraw/zinc/66/96/40/521669640.db2.gz JTGKZILHDJZOAK-UHFFFAOYSA-N 1 3 274.408 2.496 10 30 CEEEHO CCC[N@@H+](CCOc1ccc(C#CCN)cc1)C(C)C ZINC000049608953 521669642 /nfs/dbraw/zinc/66/96/42/521669642.db2.gz JTGKZILHDJZOAK-UHFFFAOYSA-N 1 3 274.408 2.496 10 30 CEEEHO CN[C@@](C)(C#N)C[C@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000068615417 522405524 /nfs/dbraw/zinc/40/55/24/522405524.db2.gz KRKWTOQLSFJSSY-DOTOQJQBSA-N 1 3 292.471 2.074 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@H+](C)[C@H](C)C1CC1 ZINC000049609208 523514936 /nfs/dbraw/zinc/51/49/36/523514936.db2.gz GJWGNYPVPXDRBW-CYBMUJFWSA-N 1 3 272.392 2.236 10 30 CEEEHO COc1ccc(C#CCN)cc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000049609208 523514947 /nfs/dbraw/zinc/51/49/47/523514947.db2.gz GJWGNYPVPXDRBW-CYBMUJFWSA-N 1 3 272.392 2.236 10 30 CEEEHO COc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1C#CCN ZINC000049609230 524010281 /nfs/dbraw/zinc/01/02/81/524010281.db2.gz GJHAOIUBVSFIEZ-AWEZNQCLSA-N 1 3 274.408 2.482 10 30 CEEEHO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1C#CCN ZINC000049609230 524010282 /nfs/dbraw/zinc/01/02/82/524010282.db2.gz GJHAOIUBVSFIEZ-AWEZNQCLSA-N 1 3 274.408 2.482 10 30 CEEEHO COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C#CCN ZINC000049608635 524040775 /nfs/dbraw/zinc/04/07/75/524040775.db2.gz CIXYDANHDZLVIF-GJZGRUSLSA-N 1 3 286.419 2.483 10 30 CEEEHO CCC[N@@H+]1CCC[C@@](C#N)(NCCN(CC)CC)CC1 ZINC000086849279 179357951 /nfs/dbraw/zinc/35/79/51/179357951.db2.gz SJMYSCOJACVQJT-MRXNPFEDSA-N 1 3 280.460 2.076 10 30 CEEEHO CCC[N@H+]1CCC[C@@](C#N)(NCCN(CC)CC)CC1 ZINC000086849279 179357953 /nfs/dbraw/zinc/35/79/53/179357953.db2.gz SJMYSCOJACVQJT-MRXNPFEDSA-N 1 3 280.460 2.076 10 30 CEEEHO COCC[N@H+](Cc1cc(C#CCN)cs1)[C@@H](C)C1CC1 ZINC000043689118 175096191 /nfs/dbraw/zinc/09/61/91/175096191.db2.gz MIILDKXUGVAXSK-ZDUSSCGKSA-N 1 3 292.448 2.305 10 30 CEEEHO COCC[N@@H+](Cc1cc(C#CCN)cs1)[C@@H](C)C1CC1 ZINC000043689118 175096193 /nfs/dbraw/zinc/09/61/93/175096193.db2.gz MIILDKXUGVAXSK-ZDUSSCGKSA-N 1 3 292.448 2.305 10 30 CEEEHO COc1ccc(C#CCN)cc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000049608632 523512375 /nfs/dbraw/zinc/51/23/75/523512375.db2.gz ZMULBDSTVQSMMN-GJZGRUSLSA-N 1 3 286.419 2.483 10 30 CEEEHO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608387 524112759 /nfs/dbraw/zinc/11/27/59/524112759.db2.gz IKMDVOUASUDBHG-OAHLLOKOSA-N 1 3 272.392 2.250 10 30 CEEEHO C[C@@H]1CCCC[N@H+]1CCOc1ccc(C#CCN)cc1 ZINC000049608387 524112763 /nfs/dbraw/zinc/11/27/63/524112763.db2.gz IKMDVOUASUDBHG-OAHLLOKOSA-N 1 3 272.392 2.250 10 30 CEEEHO C[N@H+](CCc1ccncc1)Cc1cc(C#CCN)cs1 ZINC000043688944 175095219 /nfs/dbraw/zinc/09/52/19/175095219.db2.gz HHALPECYJNSGMG-UHFFFAOYSA-N 1 3 285.416 2.128 10 30 CEEEHO C[N@@H+](CCc1ccncc1)Cc1cc(C#CCN)cs1 ZINC000043688944 175095220 /nfs/dbraw/zinc/09/52/20/175095220.db2.gz HHALPECYJNSGMG-UHFFFAOYSA-N 1 3 285.416 2.128 10 30 CEEEHO CC[NH+](CC)CCCNC(=O)C(C#N)Cc1ccccc1 ZINC000044811012 175258014 /nfs/dbraw/zinc/25/80/14/175258014.db2.gz SGFZRQYDLYOFHU-INIZCTEOSA-N 1 3 287.407 2.217 10 30 CEEEHO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262426234 330009688 /nfs/dbraw/zinc/00/96/88/330009688.db2.gz CSDRBUZULSSCEW-HUUCEWRRSA-N 1 3 292.471 2.311 10 30 CEEEHO CC[C@H]1CCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608269 523107669 /nfs/dbraw/zinc/10/76/69/523107669.db2.gz FKSZPLHDLPMZFW-INIZCTEOSA-N 1 3 272.392 2.250 10 30 CEEEHO CC[C@H]1CCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608269 523107677 /nfs/dbraw/zinc/10/76/77/523107677.db2.gz FKSZPLHDLPMZFW-INIZCTEOSA-N 1 3 272.392 2.250 10 30 CEEEHO CC[C@H](C)C[N@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609022 523868580 /nfs/dbraw/zinc/86/85/80/523868580.db2.gz ODFFNGYLRHBWFX-AWEZNQCLSA-N 1 3 274.408 2.483 10 30 CEEEHO CC[C@H](C)C[N@@H+](C)Cc1ccc(OC)c(C#CCN)c1 ZINC000049609022 523868587 /nfs/dbraw/zinc/86/85/87/523868587.db2.gz ODFFNGYLRHBWFX-AWEZNQCLSA-N 1 3 274.408 2.483 10 30 CEEEHO C[C@H]1C[C@H](C)C[NH+](Cc2cccc(C#CCN)c2)C1 ZINC000049608644 524886001 /nfs/dbraw/zinc/88/60/01/524886001.db2.gz AGCPTCFBOJEGGF-GJZGRUSLSA-N 1 3 256.393 2.475 10 30 CEEEHO C[C@H](C1CC1)[N@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609202 526203924 /nfs/dbraw/zinc/20/39/24/526203924.db2.gz SALBYANVLJHZAJ-CQSZACIVSA-N 1 3 272.392 2.106 10 30 CEEEHO C[C@H](C1CC1)[N@@H+](C)CCOc1ccc(C#CCN)cc1 ZINC000049609202 526203935 /nfs/dbraw/zinc/20/39/35/526203935.db2.gz SALBYANVLJHZAJ-CQSZACIVSA-N 1 3 272.392 2.106 10 30 CEEEHO CC[NH+]=C(NC[C@H](C)N1CCC[C@H](C)C1)N[C@@H]1C[C@@H]1C ZINC000083900354 625093963 /nfs/dbraw/zinc/09/39/63/625093963.db2.gz BZFOINNOYQUAOU-ZQDZILKHSA-N 1 3 280.460 2.070 10 30 CEEEHO CCN(CC)CCN[C@]1(C#N)CCC[N@@H+](C(C)C)CC1 ZINC000086849271 179357892 /nfs/dbraw/zinc/35/78/92/179357892.db2.gz OSYGUHLENXZVOQ-MRXNPFEDSA-N 1 3 280.460 2.074 10 30 CEEEHO CCN(CC)CCN[C@]1(C#N)CCC[N@H+](C(C)C)CC1 ZINC000086849271 179357893 /nfs/dbraw/zinc/35/78/93/179357893.db2.gz OSYGUHLENXZVOQ-MRXNPFEDSA-N 1 3 280.460 2.074 10 30 CEEEHO COCC[N@@H+](Cc1cc(C#CCN)cs1)CC(C)C ZINC000043689045 175095801 /nfs/dbraw/zinc/09/58/01/175095801.db2.gz VIPVHYFKIVEDBS-UHFFFAOYSA-N 1 3 280.437 2.163 10 30 CEEEHO COCC[N@H+](Cc1cc(C#CCN)cs1)CC(C)C ZINC000043689045 175095802 /nfs/dbraw/zinc/09/58/02/175095802.db2.gz VIPVHYFKIVEDBS-UHFFFAOYSA-N 1 3 280.437 2.163 10 30 CEEEHO COc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1C#CCN ZINC000049609210 524009483 /nfs/dbraw/zinc/00/94/83/524009483.db2.gz HSLUUFVGKSGSNW-CYBMUJFWSA-N 1 3 272.392 2.236 10 30 CEEEHO COc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1C#CCN ZINC000049609210 524009485 /nfs/dbraw/zinc/00/94/85/524009485.db2.gz HSLUUFVGKSGSNW-CYBMUJFWSA-N 1 3 272.392 2.236 10 30 CEEEHO C[C@H](C[C@](C)(C#N)NC1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000068612637 524654696 /nfs/dbraw/zinc/65/46/96/524654696.db2.gz NMFCAEKCIPPSMD-RHSMWYFYSA-N 1 3 292.471 2.073 10 30 CEEEHO CCC(CC)[N@H+](CCO)Cc1sccc1C#CCN ZINC000043684170 175092627 /nfs/dbraw/zinc/09/26/27/175092627.db2.gz AOGHKBZUKNWTBM-UHFFFAOYSA-N 1 3 280.437 2.041 10 30 CEEEHO CCC(CC)[N@@H+](CCO)Cc1sccc1C#CCN ZINC000043684170 175092629 /nfs/dbraw/zinc/09/26/29/175092629.db2.gz AOGHKBZUKNWTBM-UHFFFAOYSA-N 1 3 280.437 2.041 10 30 CEEEHO CCN[C@](C)(C#N)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045311145 175356638 /nfs/dbraw/zinc/35/66/38/175356638.db2.gz XTVSKUJGBSNSHJ-INIZCTEOSA-N 1 3 280.460 2.074 10 30 CEEEHO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262426237 330009740 /nfs/dbraw/zinc/00/97/40/330009740.db2.gz CSDRBUZULSSCEW-LSDHHAIUSA-N 1 3 292.471 2.311 10 30 CEEEHO C=CCN(CC=C)C[C@H]1CC[C@@H](C[NH2+]CCC)O1 ZINC000052376674 518770552 /nfs/dbraw/zinc/77/05/52/518770552.db2.gz AEMHLEOCLLSVEY-LSDHHAIUSA-N 1 3 252.402 2.208 10 30 CEEEHO CC(C)CC[N@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609903 519650913 /nfs/dbraw/zinc/65/09/13/519650913.db2.gz BYOAUHJYMBCFHX-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC(C)CC[N@@H+](C)CCOc1cccc(C#CCN)c1 ZINC000049609903 519650914 /nfs/dbraw/zinc/65/09/14/519650914.db2.gz BYOAUHJYMBCFHX-UHFFFAOYSA-N 1 3 274.408 2.354 10 30 CEEEHO CC(C#N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309712553 376603394 /nfs/dbraw/zinc/60/33/94/376603394.db2.gz KOKNQQUKZQQLGQ-XLNGHYISSA-N 1 3 297.402 2.173 10 30 CEEEHO CC(C#N)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309712553 376603397 /nfs/dbraw/zinc/60/33/97/376603397.db2.gz KOKNQQUKZQQLGQ-XLNGHYISSA-N 1 3 297.402 2.173 10 30 CEEEHO C[C@H]1CCC[N@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049608458 524090661 /nfs/dbraw/zinc/09/06/61/524090661.db2.gz CEOBNHRSPUBDBC-HNNXBMFYSA-N 1 3 272.392 2.108 10 30 CEEEHO C[C@H]1CCC[N@@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049608458 524090667 /nfs/dbraw/zinc/09/06/67/524090667.db2.gz CEOBNHRSPUBDBC-HNNXBMFYSA-N 1 3 272.392 2.108 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049608622 525383201 /nfs/dbraw/zinc/38/32/01/525383201.db2.gz KQBFGMMXNGTDSN-IYBDPMFKSA-N 1 3 286.419 2.354 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(C#CCN)cc2)C1 ZINC000049608622 525383205 /nfs/dbraw/zinc/38/32/05/525383205.db2.gz KQBFGMMXNGTDSN-IYBDPMFKSA-N 1 3 286.419 2.354 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049608628 525385907 /nfs/dbraw/zinc/38/59/07/525385907.db2.gz MAHGCDIPTYSMCJ-GASCZTMLSA-N 1 3 256.393 2.475 10 30 CEEEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049608628 525385915 /nfs/dbraw/zinc/38/59/15/525385915.db2.gz MAHGCDIPTYSMCJ-GASCZTMLSA-N 1 3 256.393 2.475 10 30 CEEEHO CCOC1CCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683813 175091613 /nfs/dbraw/zinc/09/16/13/175091613.db2.gz VWKDHIAYRPYEQY-UHFFFAOYSA-N 1 3 278.421 2.059 10 30 CEEEHO CC(C)[N@@H+](C)CCCCNCc1cccnc1C#N ZINC000061658693 519617517 /nfs/dbraw/zinc/61/75/17/519617517.db2.gz SESFWHLWSLYSBK-UHFFFAOYSA-N 1 3 260.385 2.163 10 30 CEEEHO C=CCN(CC=C)CCOc1ccc(C[NH2+]C)cc1 ZINC000052376539 518769044 /nfs/dbraw/zinc/76/90/44/518769044.db2.gz KMQYJXGXGKNRSE-UHFFFAOYSA-N 1 3 260.381 2.459 10 30 CEEEHO C=CCN(CC=C)C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000052376686 518771251 /nfs/dbraw/zinc/77/12/51/518771251.db2.gz AUJTVKHIMJGKHA-GJZGRUSLSA-N 1 3 252.402 2.206 10 30 CEEEHO CC(C)[N@H+](C)CCCCNCc1cccnc1C#N ZINC000061658693 519617512 /nfs/dbraw/zinc/61/75/12/519617512.db2.gz SESFWHLWSLYSBK-UHFFFAOYSA-N 1 3 260.385 2.163 10 30 CEEEHO CC[C@@H]1CCC[N@@H+]1Cc1cc(C#CCN)ccc1OC ZINC000049608264 523269052 /nfs/dbraw/zinc/26/90/52/523269052.db2.gz HSIJCLXYFGSUAI-MRXNPFEDSA-N 1 3 272.392 2.380 10 30 CEEEHO CC[C@@H]1CCC[N@H+]1Cc1cc(C#CCN)ccc1OC ZINC000049608264 523269059 /nfs/dbraw/zinc/26/90/59/523269059.db2.gz HSIJCLXYFGSUAI-MRXNPFEDSA-N 1 3 272.392 2.380 10 30 CEEEHO C[C@@H]1CCC[N@H+](CCOc2ccc(C#CCN)cc2)[C@@H]1C ZINC000050566675 524230713 /nfs/dbraw/zinc/23/07/13/524230713.db2.gz ZWPOFCHMSXYKTH-HZPDHXFCSA-N 1 3 286.419 2.496 10 30 CEEEHO C[C@@H]1CCC[N@@H+](CCOc2ccc(C#CCN)cc2)[C@@H]1C ZINC000050566675 524230719 /nfs/dbraw/zinc/23/07/19/524230719.db2.gz ZWPOFCHMSXYKTH-HZPDHXFCSA-N 1 3 286.419 2.496 10 30 CEEEHO C[C@H]1CCCC[N@@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608398 526250420 /nfs/dbraw/zinc/25/04/20/526250420.db2.gz TYAQFLFSIRMCSX-HNNXBMFYSA-N 1 3 272.392 2.250 10 30 CEEEHO C[C@H]1CCCC[N@H+]1CCOc1cccc(C#CCN)c1 ZINC000049608398 526250425 /nfs/dbraw/zinc/25/04/25/526250425.db2.gz TYAQFLFSIRMCSX-HNNXBMFYSA-N 1 3 272.392 2.250 10 30 CEEEHO