smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C[N@H+]2CCCC23CCN(c2nc4cc(F)c(F)cc4c(Cl)c2C#N)CC3)cs1 ZINC001164702147 719817126 /nfs/dbraw/zinc/81/71/26/719817126.db2.gz QZHPBDFFFSHEPX-UHFFFAOYSA-N 1 1 473.980 5.438 20 30 JKEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(C#N)c(Cl)nc4cccc(C)c42)CC3)cs1 ZINC001164701103 719817277 /nfs/dbraw/zinc/81/72/77/719817277.db2.gz OAHCRTIRBAYFII-UHFFFAOYSA-N 1 1 452.027 5.468 20 30 JKEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)[C@H]2CC ZINC001164701528 719823445 /nfs/dbraw/zinc/82/34/45/719823445.db2.gz PNXGHKABHBVTRI-FNZWTVRRSA-N 1 1 469.699 5.076 20 30 JKEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)C2 ZINC001164810879 720199434 /nfs/dbraw/zinc/19/94/34/720199434.db2.gz FHCIWXVMVJQZNP-JTSJOTPCSA-N 1 1 478.640 5.472 20 30 JKEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2 ZINC001164811351 720204857 /nfs/dbraw/zinc/20/48/57/720204857.db2.gz GJEWVIPGCWOZQH-WIOPSUGQSA-N 1 1 486.994 5.003 20 30 JKEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2 ZINC001164814652 720205921 /nfs/dbraw/zinc/20/59/21/720205921.db2.gz VSSGVIUXCOPCKA-WIOPSUGQSA-N 1 1 486.994 5.003 20 30 JKEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164814119 720207155 /nfs/dbraw/zinc/20/71/55/720207155.db2.gz SORAIUPZJIZSPP-UZUQRXQVSA-N 1 1 495.401 5.143 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729605 720480015 /nfs/dbraw/zinc/48/00/15/720480015.db2.gz RZBFFQSQPTXLNT-IZLXSDGUSA-N 1 1 457.581 5.535 20 30 JKEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cnc2Cl)cc1 ZINC001164732098 720487235 /nfs/dbraw/zinc/48/72/35/720487235.db2.gz YQCODCRBBYVJEE-XZOQPEGZSA-N 1 1 465.935 5.067 20 30 JKEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cnc2Cl)cc1 ZINC001164732098 720487243 /nfs/dbraw/zinc/48/72/43/720487243.db2.gz YQCODCRBBYVJEE-XZOQPEGZSA-N 1 1 465.935 5.067 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CC2 ZINC001164840371 720725835 /nfs/dbraw/zinc/72/58/35/720725835.db2.gz QAKSNGFLAPHODB-QFIPXVFZSA-N 1 1 490.007 5.054 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)[C@@H]2C ZINC001164858069 721020313 /nfs/dbraw/zinc/02/03/13/721020313.db2.gz FTYNQKUTICBZRG-JOCHJYFZSA-N 1 1 476.628 5.905 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)[C@H]2C ZINC001164862570 721023192 /nfs/dbraw/zinc/02/31/92/721023192.db2.gz RCPYNLOGEDLNGS-KRWDZBQOSA-N 1 1 484.982 5.436 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)[C@@H]2C ZINC001164860924 721023548 /nfs/dbraw/zinc/02/35/48/721023548.db2.gz LURZTERGCDGNPH-CQSZACIVSA-N 1 1 493.389 5.576 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786637 721437204 /nfs/dbraw/zinc/43/72/04/721437204.db2.gz PEGBYKLYWJPXGA-DNQXCXABSA-N 1 1 463.610 5.312 20 30 JKEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CC2 ZINC001164791973 721495871 /nfs/dbraw/zinc/49/58/71/721495871.db2.gz HPYAJWYQQLSSAE-UHFFFAOYSA-N 1 1 479.653 6.111 20 30 JKEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2 ZINC001164792925 721495901 /nfs/dbraw/zinc/49/59/01/721495901.db2.gz VNIYBKFLASASQV-UHFFFAOYSA-N 1 1 476.987 5.084 20 30 JKEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2 ZINC001164796992 721503801 /nfs/dbraw/zinc/50/38/01/721503801.db2.gz WFILXPAEWPMLIO-UHFFFAOYSA-N 1 1 474.996 5.070 20 30 JKEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)CC2 ZINC001164794854 721504803 /nfs/dbraw/zinc/50/48/03/721504803.db2.gz DYPLIULJYYLVDB-UHFFFAOYSA-N 1 1 466.416 5.689 20 30 JKEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164911812 721738591 /nfs/dbraw/zinc/73/85/91/721738591.db2.gz KPAUMOTYVDQPNL-HSZRJFAPSA-N 1 1 471.914 5.032 20 30 JKEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912573 721739461 /nfs/dbraw/zinc/73/94/61/721739461.db2.gz NVSGUBFVMVPQSX-HSZRJFAPSA-N 1 1 489.904 5.171 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164911835 721766267 /nfs/dbraw/zinc/76/62/67/721766267.db2.gz SOKOAEPLLQRXKU-UHFFFAOYSA-N 1 1 475.955 5.390 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164911835 721766272 /nfs/dbraw/zinc/76/62/72/721766272.db2.gz SOKOAEPLLQRXKU-UHFFFAOYSA-N 1 1 475.955 5.390 20 30 JKEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)C2 ZINC001164910821 721766410 /nfs/dbraw/zinc/76/64/10/721766410.db2.gz LLORKFAWRQVAOD-UHFFFAOYSA-N 1 1 478.383 5.596 20 30 JKEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)C2 ZINC001164910821 721766413 /nfs/dbraw/zinc/76/64/13/721766413.db2.gz LLORKFAWRQVAOD-UHFFFAOYSA-N 1 1 478.383 5.596 20 30 JKEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)C2 ZINC001164911388 721766663 /nfs/dbraw/zinc/76/66/63/721766663.db2.gz OPQAMZJGANZJPI-UHFFFAOYSA-N 1 1 461.928 5.082 20 30 JKEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)C2 ZINC001164911388 721766669 /nfs/dbraw/zinc/76/66/69/721766669.db2.gz OPQAMZJGANZJPI-UHFFFAOYSA-N 1 1 461.928 5.082 20 30 JKEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@H]21 ZINC001165026984 721832394 /nfs/dbraw/zinc/83/23/94/721832394.db2.gz QHZHFLWXQUGVPV-FCORRRHLSA-N 1 1 467.951 5.170 20 30 JKEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@@H]21 ZINC001165020635 721832604 /nfs/dbraw/zinc/83/26/04/721832604.db2.gz CWQBWHWTFDCPGO-XWFZLUIHSA-N 1 1 466.416 5.545 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165030499 721832623 /nfs/dbraw/zinc/83/26/23/721832623.db2.gz ZJWMKXGRYGWQPK-XTQVGHSUSA-N 1 1 463.988 5.339 20 30 JKEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@H]21 ZINC001165026986 721832655 /nfs/dbraw/zinc/83/26/55/721832655.db2.gz QHZHFLWXQUGVPV-NFHUAXAMSA-N 1 1 467.951 5.170 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164957286 722024603 /nfs/dbraw/zinc/02/46/03/722024603.db2.gz AUBMABGPADEMKZ-UHFFFAOYSA-N 1 1 485.635 6.175 20 30 JKEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164963332 722025514 /nfs/dbraw/zinc/02/55/14/722025514.db2.gz SFFPYJLQQAAVET-UHFFFAOYSA-N 1 1 452.389 5.301 20 30 JKEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1 ZINC001164996453 722212663 /nfs/dbraw/zinc/21/26/63/722212663.db2.gz NJNBHQZWCCMTFT-VWLOTQADSA-N 1 1 463.944 5.178 20 30 JKEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997497 722213078 /nfs/dbraw/zinc/21/30/78/722213078.db2.gz QWIZFTFYZYANFP-RUZDIDTESA-N 1 1 463.944 5.178 20 30 JKEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CC2 ZINC001164649172 719311881 /nfs/dbraw/zinc/31/18/81/719311881.db2.gz OXEIFMZQZNYUCU-UHFFFAOYSA-N 1 1 456.619 5.237 20 30 JKEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CC2 ZINC001164649240 719317853 /nfs/dbraw/zinc/31/78/53/719317853.db2.gz ANYCPRWFNRVJMH-UHFFFAOYSA-N 1 1 484.982 5.220 20 30 JKEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)[C@@H]2CC ZINC001164699111 719823363 /nfs/dbraw/zinc/82/33/63/719823363.db2.gz GKAPMKWVMFNQBB-DFHRPNOPSA-N 1 1 493.721 5.092 20 30 JKEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)[C@H]2CC ZINC001164701550 719823384 /nfs/dbraw/zinc/82/33/84/719823384.db2.gz PNXGHKABHBVTRI-RXFWQSSRSA-N 1 1 469.699 5.076 20 30 JKEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)[C@H]2CC ZINC001164697924 719823901 /nfs/dbraw/zinc/82/39/01/719823901.db2.gz BRONIAAMEXQADD-RBISFHTESA-N 1 1 489.689 5.346 20 30 JKEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2 ZINC001164814916 720123266 /nfs/dbraw/zinc/12/32/66/720123266.db2.gz UFKIJGQXBZKBQI-AMGIVPHBSA-N 1 1 458.631 5.020 20 30 JKEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)C2 ZINC001164810876 720198809 /nfs/dbraw/zinc/19/88/09/720198809.db2.gz FHCIWXVMVJQZNP-JOMNFKBKSA-N 1 1 478.640 5.472 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729613 720478823 /nfs/dbraw/zinc/47/88/23/720478823.db2.gz RZBFFQSQPTXLNT-VSGBNLITSA-N 1 1 457.581 5.535 20 30 JKEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cnc2Cl)cc1 ZINC001164732092 720487261 /nfs/dbraw/zinc/48/72/61/720487261.db2.gz YQCODCRBBYVJEE-DHIUTWEWSA-N 1 1 465.935 5.067 20 30 JKEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cnc2Cl)cc1 ZINC001164732092 720487262 /nfs/dbraw/zinc/48/72/62/720487262.db2.gz YQCODCRBBYVJEE-DHIUTWEWSA-N 1 1 465.935 5.067 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2 ZINC001164837684 720725968 /nfs/dbraw/zinc/72/59/68/720725968.db2.gz GMQJSDOILLVIOH-QFIPXVFZSA-N 1 1 490.007 5.054 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2 ZINC001164837683 720726282 /nfs/dbraw/zinc/72/62/82/720726282.db2.gz GMQJSDOILLVIOH-JOCHJYFZSA-N 1 1 490.007 5.054 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868016 721186867 /nfs/dbraw/zinc/18/68/67/721186867.db2.gz JJSJZTPADTXLPS-NSOVKSMOSA-N 1 1 487.607 5.162 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868018 721186986 /nfs/dbraw/zinc/18/69/86/721186986.db2.gz JJSJZTPADTXLPS-VSGBNLITSA-N 1 1 487.607 5.162 20 30 JKEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2 ZINC001164909022 721755838 /nfs/dbraw/zinc/75/58/38/721755838.db2.gz CTHSHIWIGQXQIF-UHFFFAOYSA-N 1 1 491.620 6.018 20 30 JKEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2 ZINC001164909022 721755842 /nfs/dbraw/zinc/75/58/42/721755842.db2.gz CTHSHIWIGQXQIF-UHFFFAOYSA-N 1 1 491.620 6.018 20 30 JKEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164910411 721766084 /nfs/dbraw/zinc/76/60/84/721766084.db2.gz FQKUTSDKKDASBP-UHFFFAOYSA-N 1 1 457.965 5.251 20 30 JKEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164910411 721766089 /nfs/dbraw/zinc/76/60/89/721766089.db2.gz FQKUTSDKKDASBP-UHFFFAOYSA-N 1 1 457.965 5.251 20 30 JKEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1F ZINC001164993797 722201103 /nfs/dbraw/zinc/20/11/03/722201103.db2.gz BPSVVUXCMTUXHQ-VWLOTQADSA-N 1 1 465.935 5.192 20 30 JKEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164997498 722212960 /nfs/dbraw/zinc/21/29/60/722212960.db2.gz QWIZFTFYZYANFP-VWLOTQADSA-N 1 1 463.944 5.178 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c12 ZINC001164677360 719533477 /nfs/dbraw/zinc/53/34/77/719533477.db2.gz DAKSENDQMFFZMU-UHFFFAOYSA-N 1 1 482.962 5.218 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c12 ZINC001164677360 719533491 /nfs/dbraw/zinc/53/34/91/719533491.db2.gz DAKSENDQMFFZMU-UHFFFAOYSA-N 1 1 482.962 5.218 20 30 JKEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC3)cs1 ZINC001164697987 719816518 /nfs/dbraw/zinc/81/65/18/719816518.db2.gz CONLKXDVLGKHES-UHFFFAOYSA-N 1 1 481.025 5.194 20 30 JKEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)[C@@H]2CC ZINC001164697925 719823755 /nfs/dbraw/zinc/82/37/55/719823755.db2.gz BRONIAAMEXQADD-SKCUWOTOSA-N 1 1 489.689 5.346 20 30 JKEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)[C@H]2CC ZINC001164697923 719823947 /nfs/dbraw/zinc/82/39/47/719823947.db2.gz BRONIAAMEXQADD-DWACAAAGSA-N 1 1 489.689 5.346 20 30 JKEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2 ZINC001164814649 720204760 /nfs/dbraw/zinc/20/47/60/720204760.db2.gz VSSGVIUXCOPCKA-DHLKQENFSA-N 1 1 486.994 5.003 20 30 JKEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2 ZINC001164814651 720205454 /nfs/dbraw/zinc/20/54/54/720205454.db2.gz VSSGVIUXCOPCKA-RDGATRHJSA-N 1 1 486.994 5.003 20 30 JKEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164814118 720207609 /nfs/dbraw/zinc/20/76/09/720207609.db2.gz SORAIUPZJIZSPP-SBUREZEXSA-N 1 1 495.401 5.143 20 30 JKEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cnc2Cl)c1 ZINC001164731634 720486387 /nfs/dbraw/zinc/48/63/87/720486387.db2.gz WYVDWBQAWRKFOQ-XZOQPEGZSA-N 1 1 465.935 5.067 20 30 JKEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cnc2Cl)c1 ZINC001164731634 720486395 /nfs/dbraw/zinc/48/63/95/720486395.db2.gz WYVDWBQAWRKFOQ-XZOQPEGZSA-N 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C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164838687 720728697 /nfs/dbraw/zinc/72/86/97/720728697.db2.gz XCIKISWJLZVCEN-FQEVSTJZSA-N 1 1 464.972 5.159 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)[C@H]2C ZINC001164857922 720967452 /nfs/dbraw/zinc/96/74/52/720967452.db2.gz IFMOZAIOCJEMFL-SFHVURJKSA-N 1 1 456.619 5.453 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)[C@H]2C ZINC001164858071 721020934 /nfs/dbraw/zinc/02/09/34/721020934.db2.gz FTYNQKUTICBZRG-QFIPXVFZSA-N 1 1 476.628 5.905 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)[C@H]2C ZINC001164861193 721024628 /nfs/dbraw/zinc/02/46/28/721024628.db2.gz NTNVAUQUISMISH-KRWDZBQOSA-N 1 1 484.982 5.436 20 30 JKEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001164792150 721490710 /nfs/dbraw/zinc/49/07/10/721490710.db2.gz HMFHEQOYJMJPTE-UHFFFAOYSA-N 1 1 466.363 5.081 20 30 JKEDMO 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C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)[C@H]2CC ZINC001164702183 719823352 /nfs/dbraw/zinc/82/33/52/719823352.db2.gz RGCQLWZSLAUVDU-DWACAAAGSA-N 1 1 493.721 5.092 20 30 JKEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)[C@@H]2CC ZINC001164703570 719823512 /nfs/dbraw/zinc/82/35/12/719823512.db2.gz WFASFSCEZUGNBG-JIPXPUAJSA-N 1 1 481.710 5.220 20 30 JKEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2 ZINC001164814919 720123455 /nfs/dbraw/zinc/12/34/55/720123455.db2.gz UFKIJGQXBZKBQI-WXVAWEFUSA-N 1 1 458.631 5.020 20 30 JKEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccccc3)c(-c3ccccc3)cc1C#N)C2 ZINC001164810867 720199265 /nfs/dbraw/zinc/19/92/65/720199265.db2.gz FHCIWXVMVJQZNP-DHIFEGFHSA-N 1 1 478.640 5.472 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729611 720479602 /nfs/dbraw/zinc/47/96/02/720479602.db2.gz RZBFFQSQPTXLNT-NSOVKSMOSA-N 1 1 457.581 5.535 20 30 JKEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cnc2Cl)c1 ZINC001164731632 720487080 /nfs/dbraw/zinc/48/70/80/720487080.db2.gz WYVDWBQAWRKFOQ-GOTSBHOMSA-N 1 1 465.935 5.067 20 30 JKEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cnc2Cl)c1 ZINC001164731632 720487092 /nfs/dbraw/zinc/48/70/92/720487092.db2.gz WYVDWBQAWRKFOQ-GOTSBHOMSA-N 1 1 465.935 5.067 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001164839767 720662171 /nfs/dbraw/zinc/66/21/71/720662171.db2.gz KCUIJHXSYNUURU-QGZVFWFLSA-N 1 1 481.374 5.065 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CC2 ZINC001164840368 720725742 /nfs/dbraw/zinc/72/57/42/720725742.db2.gz QAKSNGFLAPHODB-JOCHJYFZSA-N 1 1 490.007 5.054 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164838688 720729892 /nfs/dbraw/zinc/72/98/92/720729892.db2.gz XCIKISWJLZVCEN-HXUWFJFHSA-N 1 1 464.972 5.159 20 30 JKEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164838007 720730416 /nfs/dbraw/zinc/73/04/16/720730416.db2.gz PRVXSHBNPDMOBZ-NRFANRHFSA-N 1 1 461.009 5.328 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)[C@@H]2C ZINC001164861198 721023474 /nfs/dbraw/zinc/02/34/74/721023474.db2.gz NTNVAUQUISMISH-QGZVFWFLSA-N 1 1 484.982 5.436 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)[C@H]2C ZINC001164860919 721023904 /nfs/dbraw/zinc/02/39/04/721023904.db2.gz LURZTERGCDGNPH-AWEZNQCLSA-N 1 1 493.389 5.576 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868020 721187038 /nfs/dbraw/zinc/18/70/38/721187038.db2.gz JJSJZTPADTXLPS-WUFINQPMSA-N 1 1 487.607 5.162 20 30 JKEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164797423 721504457 /nfs/dbraw/zinc/50/44/57/721504457.db2.gz ZVBJICLXVHYEBJ-UHFFFAOYSA-N 1 1 467.951 5.314 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164795236 721504555 /nfs/dbraw/zinc/50/45/55/721504555.db2.gz IDTORMUQRABEQY-UHFFFAOYSA-N 1 1 463.988 5.483 20 30 JKEDMO Cc1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c(C#N)c(Cl)c2c1 ZINC001164912216 721739482 /nfs/dbraw/zinc/73/94/82/721739482.db2.gz MZPVHIMEBOUZFK-XMMPIXPASA-N 1 1 467.951 5.201 20 30 JKEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cnc2Cl)c1 ZINC001164957447 722025081 /nfs/dbraw/zinc/02/50/81/722025081.db2.gz CCOOMAQVLIUBFE-UHFFFAOYSA-N 1 1 493.989 5.706 20 30 JKEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996597 722212991 /nfs/dbraw/zinc/21/29/91/722212991.db2.gz OEKQASUKYZWIJO-VWLOTQADSA-N 1 1 463.944 5.178 20 30 JKEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)CC2 ZINC001164651335 719317805 /nfs/dbraw/zinc/31/78/05/719317805.db2.gz GVXIOQSMIIQJQO-UHFFFAOYSA-N 1 1 484.982 5.220 20 30 JKEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)CC2 ZINC001164651330 719318409 /nfs/dbraw/zinc/31/84/09/719318409.db2.gz GUEVBGMANUPENZ-UHFFFAOYSA-N 1 1 493.389 5.360 20 30 JKEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4ccc(C)cc4c(Cl)c2C#N)CC3)cs1 ZINC001164700960 719817192 /nfs/dbraw/zinc/81/71/92/719817192.db2.gz NKNIFXUDCOUVJF-UHFFFAOYSA-N 1 1 452.027 5.468 20 30 JKEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)[C@@H]2CC ZINC001164703575 719823301 /nfs/dbraw/zinc/82/33/01/719823301.db2.gz WFASFSCEZUGNBG-ZBLYBZFDSA-N 1 1 481.710 5.220 20 30 JKEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)[C@@H]2CC ZINC001164702188 719823463 /nfs/dbraw/zinc/82/34/63/719823463.db2.gz RGCQLWZSLAUVDU-SKCUWOTOSA-N 1 1 493.721 5.092 20 30 JKEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164705911 719909449 /nfs/dbraw/zinc/90/94/49/719909449.db2.gz FSDNIVFLLNCUJU-UHFFFAOYSA-N 1 1 453.011 5.001 20 30 JKEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)CC2 ZINC001164715029 720159200 /nfs/dbraw/zinc/15/92/00/720159200.db2.gz SDTINDILFSSBCL-LJQANCHMSA-N 1 1 496.442 5.316 20 30 JKEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cnc2Cl)cc1 ZINC001164732094 720486493 /nfs/dbraw/zinc/48/64/93/720486493.db2.gz YQCODCRBBYVJEE-GOTSBHOMSA-N 1 1 465.935 5.067 20 30 JKEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cnc2Cl)cc1 ZINC001164732094 720486494 /nfs/dbraw/zinc/48/64/94/720486494.db2.gz YQCODCRBBYVJEE-GOTSBHOMSA-N 1 1 465.935 5.067 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2 ZINC001164841946 720692676 /nfs/dbraw/zinc/69/26/76/720692676.db2.gz KKUCZTTXBNEMEE-OAQYLSRUSA-N 1 1 491.998 5.068 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2 ZINC001164841941 720692757 /nfs/dbraw/zinc/69/27/57/720692757.db2.gz KKUCZTTXBNEMEE-NRFANRHFSA-N 1 1 491.998 5.068 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164836904 720731006 /nfs/dbraw/zinc/73/10/06/720731006.db2.gz IKZJCYBBXXQWHZ-GOSISDBHSA-N 1 1 482.962 5.298 20 30 JKEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)[C@@H]2CCCO[C@H]12 ZINC001164809287 721558425 /nfs/dbraw/zinc/55/84/25/721558425.db2.gz WFFSYGNWNFXGCW-MZKUHISZSA-N 1 1 481.625 5.098 20 30 JKEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)[C@@H]2CCCO[C@H]12 ZINC001164809287 721558428 /nfs/dbraw/zinc/55/84/28/721558428.db2.gz WFFSYGNWNFXGCW-MZKUHISZSA-N 1 1 481.625 5.098 20 30 JKEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164913080 721739056 /nfs/dbraw/zinc/73/90/56/721739056.db2.gz SGXHWXUFKWYHPM-DEOSSOPVSA-N 1 1 467.951 5.201 20 30 JKEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912574 721739310 /nfs/dbraw/zinc/73/93/10/721739310.db2.gz NVSGUBFVMVPQSX-QHCPKHFHSA-N 1 1 489.904 5.171 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165030490 721832539 /nfs/dbraw/zinc/83/25/39/721832539.db2.gz ZJWMKXGRYGWQPK-KPDCDPCYSA-N 1 1 463.988 5.339 20 30 JKEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c(Cl)nn2)c1 ZINC001164965063 722024983 /nfs/dbraw/zinc/02/49/83/722024983.db2.gz ZKYZDKBJKPCVLJ-UHFFFAOYSA-N 1 1 494.977 5.101 20 30 JKEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c(Cl)nn2)cc1 ZINC001164959584 722025068 /nfs/dbraw/zinc/02/50/68/722025068.db2.gz HZYGKCUFCNZOBY-UHFFFAOYSA-N 1 1 494.977 5.101 20 30 JKEDMO N#Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2cc(-c3ccccc3)sc21 ZINC001164963864 722056556 /nfs/dbraw/zinc/05/65/56/722056556.db2.gz OSRUZTHZTDQEJH-UHFFFAOYSA-N 1 1 495.652 5.349 20 30 JKEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1F ZINC001164993796 722200768 /nfs/dbraw/zinc/20/07/68/722200768.db2.gz BPSVVUXCMTUXHQ-RUZDIDTESA-N 1 1 465.935 5.192 20 30 JKEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996596 722212813 /nfs/dbraw/zinc/21/28/13/722212813.db2.gz OEKQASUKYZWIJO-RUZDIDTESA-N 1 1 463.944 5.178 20 30 JKEDMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC3)cs1 ZINC001164693350 719804224 /nfs/dbraw/zinc/80/42/24/719804224.db2.gz SJEZLDBNDROABR-UHFFFAOYSA-N 1 1 472.392 5.205 20 30 JKEDMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC3)cs1 ZINC001164693350 719804228 /nfs/dbraw/zinc/80/42/28/719804228.db2.gz SJEZLDBNDROABR-UHFFFAOYSA-N 1 1 472.392 5.205 20 30 JKEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC3)cs1 ZINC001164692759 719809174 /nfs/dbraw/zinc/80/91/74/719809174.db2.gz MFGDMGZFDKGMJE-UHFFFAOYSA-N 1 1 483.016 5.208 20 30 JKEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(COc4ccc(CC#N)cc4)cn2)CC3)cs1 ZINC001164692265 719813926 /nfs/dbraw/zinc/81/39/26/719813926.db2.gz PBOKXCUEJFYPTH-UHFFFAOYSA-N 1 1 473.646 5.127 20 30 JKEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(C#N)c(Cl)nc4cccc(Cl)c42)CC3)cs1 ZINC001164698601 719816981 /nfs/dbraw/zinc/81/69/81/719816981.db2.gz FHLXQBZVTVXDSP-UHFFFAOYSA-N 1 1 472.445 5.813 20 30 JKEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)[C@@H]2CC ZINC001164702181 719823420 /nfs/dbraw/zinc/82/34/20/719823420.db2.gz RGCQLWZSLAUVDU-DFHRPNOPSA-N 1 1 493.721 5.092 20 30 JKEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)[C@@H]2CC ZINC001164697919 719823684 /nfs/dbraw/zinc/82/36/84/719823684.db2.gz BRONIAAMEXQADD-DFHRPNOPSA-N 1 1 489.689 5.346 20 30 JKEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707319 719909153 /nfs/dbraw/zinc/90/91/53/719909153.db2.gz PHRDMPMYWREEJK-UHFFFAOYSA-N 1 1 473.429 5.346 20 30 JKEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)C2 ZINC001164814913 720123432 /nfs/dbraw/zinc/12/34/32/720123432.db2.gz UFKIJGQXBZKBQI-AJTFRIOCSA-N 1 1 458.631 5.020 20 30 JKEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)CC2 ZINC001164714073 720158871 /nfs/dbraw/zinc/15/88/71/720158871.db2.gz OCSPUGILAPWVSL-FQEVSTJZSA-N 1 1 494.014 5.110 20 30 JKEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3ccc(F)c(C)c31)CC2 ZINC001164714077 720159045 /nfs/dbraw/zinc/15/90/45/720159045.db2.gz OCSPUGILAPWVSL-HXUWFJFHSA-N 1 1 494.014 5.110 20 30 JKEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)C2 ZINC001164814650 720204721 /nfs/dbraw/zinc/20/47/21/720204721.db2.gz VSSGVIUXCOPCKA-RCZVLFRGSA-N 1 1 486.994 5.003 20 30 JKEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)C2 ZINC001164811348 720204737 /nfs/dbraw/zinc/20/47/37/720204737.db2.gz GJEWVIPGCWOZQH-RDGATRHJSA-N 1 1 486.994 5.003 20 30 JKEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2 ZINC001164814117 720206414 /nfs/dbraw/zinc/20/64/14/720206414.db2.gz SORAIUPZJIZSPP-HXOBKFHXSA-N 1 1 495.401 5.143 20 30 JKEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cnc2Cl)c1 ZINC001164731633 720486218 /nfs/dbraw/zinc/48/62/18/720486218.db2.gz WYVDWBQAWRKFOQ-PKTZIBPZSA-N 1 1 465.935 5.067 20 30 JKEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cnc2Cl)c1 ZINC001164731633 720486224 /nfs/dbraw/zinc/48/62/24/720486224.db2.gz WYVDWBQAWRKFOQ-PKTZIBPZSA-N 1 1 465.935 5.067 20 30 JKEDMO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)cc2c1Cl ZINC001164726828 720490455 /nfs/dbraw/zinc/49/04/55/720490455.db2.gz MEHBYPYAWIYIRF-PMACEKPBSA-N 1 1 474.342 5.206 20 30 JKEDMO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cc2c1Cl ZINC001164726828 720490460 /nfs/dbraw/zinc/49/04/60/720490460.db2.gz MEHBYPYAWIYIRF-PMACEKPBSA-N 1 1 474.342 5.206 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001164839759 720661322 /nfs/dbraw/zinc/66/13/22/720661322.db2.gz KCUIJHXSYNUURU-KRWDZBQOSA-N 1 1 481.374 5.065 20 30 JKEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164836907 720731329 /nfs/dbraw/zinc/73/13/29/720731329.db2.gz IKZJCYBBXXQWHZ-SFHVURJKSA-N 1 1 482.962 5.298 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)[C@@H]2C ZINC001164857915 720967045 /nfs/dbraw/zinc/96/70/45/720967045.db2.gz IFMOZAIOCJEMFL-GOSISDBHSA-N 1 1 456.619 5.453 20 30 JKEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)[C@@H]2C ZINC001164862574 721023649 /nfs/dbraw/zinc/02/36/49/721023649.db2.gz RCPYNLOGEDLNGS-QGZVFWFLSA-N 1 1 484.982 5.436 20 30 JKEDMO N#Cc1cc(-c2ccccc2)c(-c2ccccc2)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868007 721186341 /nfs/dbraw/zinc/18/63/41/721186341.db2.gz JJSJZTPADTXLPS-IZLXSDGUSA-N 1 1 487.607 5.162 20 30 JKEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164795999 721500856 /nfs/dbraw/zinc/50/08/56/721500856.db2.gz OUORHICPEQSAAH-UHFFFAOYSA-N 1 1 467.617 5.003 20 30 JKEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)CC2 ZINC001164795600 721503603 /nfs/dbraw/zinc/50/36/03/721503603.db2.gz MKKRUDQOSHNDFV-UHFFFAOYSA-N 1 1 474.996 5.070 20 30 JKEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)[C@H]2CCCO[C@@H]12 ZINC001164809252 721558636 /nfs/dbraw/zinc/55/86/36/721558636.db2.gz WFFSYGNWNFXGCW-BFLUCZKCSA-N 1 1 481.625 5.098 20 30 JKEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)c3sc(-c4ccccc4)cc32)[C@H]2CCCO[C@@H]12 ZINC001164809252 721558640 /nfs/dbraw/zinc/55/86/40/721558640.db2.gz WFFSYGNWNFXGCW-BFLUCZKCSA-N 1 1 481.625 5.098 20 30 JKEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912870 721739135 /nfs/dbraw/zinc/73/91/35/721739135.db2.gz QSIWRXOEHVYFSU-HSZRJFAPSA-N 1 1 488.369 5.546 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164909130 721739145 /nfs/dbraw/zinc/73/91/45/721739145.db2.gz CAQPPNDGPGSAAJ-DEOSSOPVSA-N 1 1 485.941 5.340 20 30 JKEDMO Cc1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c(C#N)c(Cl)c2c1 ZINC001164912212 721739506 /nfs/dbraw/zinc/73/95/06/721739506.db2.gz MZPVHIMEBOUZFK-DEOSSOPVSA-N 1 1 467.951 5.201 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164909131 721739584 /nfs/dbraw/zinc/73/95/84/721739584.db2.gz CAQPPNDGPGSAAJ-XMMPIXPASA-N 1 1 485.941 5.340 20 30 JKEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@H]21 ZINC001165020637 721832451 /nfs/dbraw/zinc/83/24/51/721832451.db2.gz CWQBWHWTFDCPGO-ZWDAVXSWSA-N 1 1 466.416 5.545 20 30 JKEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@H]21 ZINC001165020625 721832545 /nfs/dbraw/zinc/83/25/45/721832545.db2.gz CWQBWHWTFDCPGO-DKZVUGQWSA-N 1 1 466.416 5.545 20 30 JKEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@@H]21 ZINC001165026985 721832598 /nfs/dbraw/zinc/83/25/98/721832598.db2.gz QHZHFLWXQUGVPV-IGCHPXFFSA-N 1 1 467.951 5.170 20 30 JKEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@@H]21 ZINC001165026783 721832613 /nfs/dbraw/zinc/83/26/13/721832613.db2.gz QHZHFLWXQUGVPV-BIFSNJIPSA-N 1 1 467.951 5.170 20 30 JKEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165030494 721832641 /nfs/dbraw/zinc/83/26/41/721832641.db2.gz ZJWMKXGRYGWQPK-NYDSKATKSA-N 1 1 463.988 5.339 20 30 JKEDMO N#Cc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2cc(-c3ccccc3)sc21 ZINC001164953147 722018258 /nfs/dbraw/zinc/01/82/58/722018258.db2.gz SBZWJFJPUWFDEB-UHFFFAOYSA-N 1 1 465.626 5.722 20 30 JKEDMO N#CCc1ccc(OCc2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nc2)cc1 ZINC001164993846 722209267 /nfs/dbraw/zinc/20/92/67/722209267.db2.gz CGQBUVMKSHXCMQ-MUUNZHRXSA-N 1 1 456.565 5.111 20 30 JKEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1 ZINC001164996450 722212871 /nfs/dbraw/zinc/21/28/71/722212871.db2.gz NJNBHQZWCCMTFT-RUZDIDTESA-N 1 1 463.944 5.178 20 30 JKEDMO