smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417470 718891129 /nfs/dbraw/zinc/89/11/29/718891129.db2.gz KPZOLXPRIXSNSK-INIZCTEOSA-N 1 2 483.744 5.145 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3cc(Cl)ccc31)CC2 ZINC001164662869 719350373 /nfs/dbraw/zinc/35/03/73/719350373.db2.gz ANCJXJIWUGWLRM-UHFFFAOYSA-N 1 2 473.024 5.286 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3cc(Cl)ccc31)CC2 ZINC001164662869 719350376 /nfs/dbraw/zinc/35/03/76/719350376.db2.gz ANCJXJIWUGWLRM-UHFFFAOYSA-N 1 2 473.024 5.286 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164658147 719351526 /nfs/dbraw/zinc/35/15/26/719351526.db2.gz DTRBWKSCOZCENO-UHFFFAOYSA-N 1 2 478.600 5.379 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3c4ccccc4oc31)CC2 ZINC001164658147 719351528 /nfs/dbraw/zinc/35/15/28/719351528.db2.gz DTRBWKSCOZCENO-UHFFFAOYSA-N 1 2 478.600 5.379 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164658396 719353020 /nfs/dbraw/zinc/35/30/20/719353020.db2.gz GCLWYBLCUFQMLO-UHFFFAOYSA-N 1 2 497.647 5.124 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)CC2 ZINC001164658396 719353022 /nfs/dbraw/zinc/35/30/22/719353022.db2.gz GCLWYBLCUFQMLO-UHFFFAOYSA-N 1 2 497.647 5.124 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164658565 719353198 /nfs/dbraw/zinc/35/31/98/719353198.db2.gz JEWMMSPVRYPBDK-UHFFFAOYSA-N 1 2 465.045 5.122 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C(C)(C)C)n1)CC2 ZINC001164658565 719353201 /nfs/dbraw/zinc/35/32/01/719353201.db2.gz JEWMMSPVRYPBDK-UHFFFAOYSA-N 1 2 465.045 5.122 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164660723 719354585 /nfs/dbraw/zinc/35/45/85/719354585.db2.gz XUMFZOAFOKHVET-UHFFFAOYSA-N 1 2 478.644 5.455 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cc(C)ccc3C)nn1)CC2 ZINC001164660723 719354587 /nfs/dbraw/zinc/35/45/87/719354587.db2.gz XUMFZOAFOKHVET-UHFFFAOYSA-N 1 2 478.644 5.455 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164658044 719355652 /nfs/dbraw/zinc/35/56/52/719355652.db2.gz CBBFEZXJNCQRAI-UHFFFAOYSA-N 1 2 492.549 5.401 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(F)F)nc3ccc(F)cc31)CC2 ZINC001164658044 719355656 /nfs/dbraw/zinc/35/56/56/719355656.db2.gz CBBFEZXJNCQRAI-UHFFFAOYSA-N 1 2 492.549 5.401 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164665834 719356115 /nfs/dbraw/zinc/35/61/15/719356115.db2.gz ZCRZJBHDUHNTHB-UHFFFAOYSA-N 1 2 483.447 5.356 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nc(Cl)nc1C1CC1)CC2 ZINC001164665834 719356119 /nfs/dbraw/zinc/35/61/19/719356119.db2.gz ZCRZJBHDUHNTHB-UHFFFAOYSA-N 1 2 483.447 5.356 20 0 JKADLO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164663480 719356881 /nfs/dbraw/zinc/35/68/81/719356881.db2.gz GJOWWVVMASDEHP-FQEVSTJZSA-N 1 2 469.637 5.166 20 0 JKADLO CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164663480 719356884 /nfs/dbraw/zinc/35/68/84/719356884.db2.gz GJOWWVVMASDEHP-FQEVSTJZSA-N 1 2 469.637 5.166 20 0 JKADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cnc(Cl)nc2Oc2ccc(F)cc2)CC3)cc1 ZINC001164674001 719523846 /nfs/dbraw/zinc/52/38/46/719523846.db2.gz YBDTTYCHSVLUCF-UHFFFAOYSA-N 1 2 486.950 5.072 20 0 JKADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cnc(Cl)nc2Oc2ccc(F)cc2)CC3)cc1 ZINC001164674001 719523849 /nfs/dbraw/zinc/52/38/49/719523849.db2.gz YBDTTYCHSVLUCF-UHFFFAOYSA-N 1 2 486.950 5.072 20 0 JKADLO Cc1cccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)cnc2Cl)c1 ZINC001164676533 719567689 /nfs/dbraw/zinc/56/76/89/719567689.db2.gz HHFQZUKLTWXBBA-UHFFFAOYSA-N 1 2 455.896 5.051 20 0 JKADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)CC2)cc1 ZINC001164699600 719830730 /nfs/dbraw/zinc/83/07/30/719830730.db2.gz XXWXBDDMIAXBKV-UHFFFAOYSA-N 1 2 497.977 5.062 20 0 JKADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164721782 720314140 /nfs/dbraw/zinc/31/41/40/720314140.db2.gz HSRWTPDZHRLJOK-LJQANCHMSA-N 1 2 482.362 5.104 20 0 JKADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164723414 720316071 /nfs/dbraw/zinc/31/60/71/720316071.db2.gz OQROWWMQSKRYQJ-NRFANRHFSA-N 1 2 491.945 5.103 20 0 JKADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(C)c2)c1 ZINC001164722281 720318572 /nfs/dbraw/zinc/31/85/72/720318572.db2.gz JYLDEKQWVIUXOB-QFIPXVFZSA-N 1 2 487.982 5.273 20 0 JKADLO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756768 720981912 /nfs/dbraw/zinc/98/19/12/720981912.db2.gz KPARQVWKWONWNL-SFHVURJKSA-N 1 2 474.939 5.086 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cnc1Cl ZINC001164758948 720983274 /nfs/dbraw/zinc/98/32/74/720983274.db2.gz XMYXGVJYTNJPSC-QGZVFWFLSA-N 1 2 476.930 5.346 20 0 JKADLO Cc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)cnc2Cl)c1 ZINC001164871217 721221985 /nfs/dbraw/zinc/22/19/85/721221985.db2.gz JCQGLANUKVVRRS-UHFFFAOYSA-N 1 2 484.978 5.526 20 0 JKADLO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766151 721273126 /nfs/dbraw/zinc/27/31/26/721273126.db2.gz OFWBKHCIRZBAEH-GOSISDBHSA-N 1 2 481.934 5.254 20 0 JKADLO Fc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)cnc2Cl)c1 ZINC001164767107 721276172 /nfs/dbraw/zinc/27/61/72/721276172.db2.gz GJSBKTGOGYUFSN-KRWDZBQOSA-N 1 2 499.924 5.393 20 0 JKADLO Cc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)cnc2Cl)c1 ZINC001164766294 721277819 /nfs/dbraw/zinc/27/78/19/721277819.db2.gz BZADSLJQZBMUSA-IBGZPJMESA-N 1 2 495.961 5.562 20 0 JKADLO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785886 721438470 /nfs/dbraw/zinc/43/84/70/721438470.db2.gz TVAUYQZEXXOUIK-IRXDYDNUSA-N 1 2 498.002 5.520 20 0 JKADLO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164782525 721439092 /nfs/dbraw/zinc/43/90/92/721439092.db2.gz JYMWAKZSCIPHBL-OALUTQOASA-N 1 2 490.023 5.490 20 0 JKADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(C4CCCCC4)cc3)nn1)C2 ZINC001165011825 721718204 /nfs/dbraw/zinc/71/82/04/721718204.db2.gz VYPPORWYGJDOES-UHFFFAOYSA-N 1 2 459.642 5.033 20 0 JKADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(C4CCCCC4)cc3)nn1)C2 ZINC001165011825 721718206 /nfs/dbraw/zinc/71/82/06/721718206.db2.gz VYPPORWYGJDOES-UHFFFAOYSA-N 1 2 459.642 5.033 20 0 JKADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2 ZINC001165012008 721722127 /nfs/dbraw/zinc/72/21/27/721722127.db2.gz YLONIJJWMIQXSR-UHFFFAOYSA-N 1 2 495.405 5.442 20 0 JKADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)C2 ZINC001165012008 721722128 /nfs/dbraw/zinc/72/21/28/721722128.db2.gz YLONIJJWMIQXSR-UHFFFAOYSA-N 1 2 495.405 5.442 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3)nc(Cl)c2-c2ccccc2)CC1 ZINC001164918411 721815515 /nfs/dbraw/zinc/81/55/15/721815515.db2.gz WQBYEUYPMRXLOZ-UHFFFAOYSA-N 1 2 485.035 5.410 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001164918712 721820128 /nfs/dbraw/zinc/82/01/28/721820128.db2.gz HHLGACYNUROLHK-UHFFFAOYSA-N 1 2 476.694 5.174 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccsc3)nc3sc4c(c32)CCCC4)CC1 ZINC001164918723 721820169 /nfs/dbraw/zinc/82/01/69/721820169.db2.gz HJPMSUDFWSSQTM-UHFFFAOYSA-N 1 2 490.702 5.245 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC001164918090 721820209 /nfs/dbraw/zinc/82/02/09/721820209.db2.gz AVTSXHHXXSRPBV-UHFFFAOYSA-N 1 2 470.646 5.182 20 0 JKADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CC1 ZINC001164918790 721820766 /nfs/dbraw/zinc/82/07/66/721820766.db2.gz HYRSHNRWCFYMMX-UHFFFAOYSA-N 1 2 475.946 5.032 20 0 JKADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CC1 ZINC001164918790 721820768 /nfs/dbraw/zinc/82/07/68/721820768.db2.gz HYRSHNRWCFYMMX-UHFFFAOYSA-N 1 2 475.946 5.032 20 0 JKADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC1 ZINC001164919574 721820839 /nfs/dbraw/zinc/82/08/39/721820839.db2.gz TWRCTFRSGUNIQW-UHFFFAOYSA-N 1 2 475.946 5.032 20 0 JKADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC1 ZINC001164919574 721820840 /nfs/dbraw/zinc/82/08/40/721820840.db2.gz TWRCTFRSGUNIQW-UHFFFAOYSA-N 1 2 475.946 5.032 20 0 JKADLO FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[NH+](CCc4ccccn4)CC3)c(Cl)nn2)c1 ZINC001165055634 722020818 /nfs/dbraw/zinc/02/08/18/722020818.db2.gz BUQIGSCVDSZOFC-UHFFFAOYSA-N 1 2 497.899 5.120 20 0 JKADLO FC(F)(c1ccc2c(Cl)nccc2c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419711 718891141 /nfs/dbraw/zinc/89/11/41/718891141.db2.gz QWTPEKNZXVTEEM-QGZVFWFLSA-N 1 2 493.739 5.421 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164663109 719346718 /nfs/dbraw/zinc/34/67/18/719346718.db2.gz CZPFKGMITRLUQB-UHFFFAOYSA-N 1 2 458.635 5.003 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3sc(C)c(C)c31)CC2 ZINC001164663109 719346720 /nfs/dbraw/zinc/34/67/20/719346720.db2.gz CZPFKGMITRLUQB-UHFFFAOYSA-N 1 2 458.635 5.003 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164663126 719349204 /nfs/dbraw/zinc/34/92/04/719349204.db2.gz FATWMKQDRKLJBP-UHFFFAOYSA-N 1 2 465.026 5.039 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1csc3ncnc(Cl)c13)CC2 ZINC001164663126 719349205 /nfs/dbraw/zinc/34/92/05/719349205.db2.gz FATWMKQDRKLJBP-UHFFFAOYSA-N 1 2 465.026 5.039 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164663545 719350086 /nfs/dbraw/zinc/35/00/86/719350086.db2.gz KFPWMOIIUAEUHM-UHFFFAOYSA-N 1 2 493.442 5.631 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164663545 719350091 /nfs/dbraw/zinc/35/00/91/719350091.db2.gz KFPWMOIIUAEUHM-UHFFFAOYSA-N 1 2 493.442 5.631 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nccc1SC)CC2 ZINC001164658445 719351572 /nfs/dbraw/zinc/35/15/72/719351572.db2.gz HBFJCLUJHHBGGR-UHFFFAOYSA-N 1 2 454.043 5.152 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nccc1SC)CC2 ZINC001164658445 719351574 /nfs/dbraw/zinc/35/15/74/719351574.db2.gz HBFJCLUJHHBGGR-UHFFFAOYSA-N 1 2 454.043 5.152 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164659970 719351890 /nfs/dbraw/zinc/35/18/90/719351890.db2.gz TUMIAKMCJJWVIW-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164659970 719351892 /nfs/dbraw/zinc/35/18/92/719351892.db2.gz TUMIAKMCJJWVIW-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3sc4c(c31)CCC4)CC2 ZINC001164658997 719353946 /nfs/dbraw/zinc/35/39/46/719353946.db2.gz PDLCYAGYIMODCE-UHFFFAOYSA-N 1 2 484.673 5.183 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3sc4c(c31)CCC4)CC2 ZINC001164658997 719353948 /nfs/dbraw/zinc/35/39/48/719353948.db2.gz PDLCYAGYIMODCE-UHFFFAOYSA-N 1 2 484.673 5.183 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164659932 719354550 /nfs/dbraw/zinc/35/45/50/719354550.db2.gz SPMYSILFIOSSFQ-UHFFFAOYSA-N 1 2 474.559 5.262 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(F)F)nc3ccccc31)CC2 ZINC001164659932 719354552 /nfs/dbraw/zinc/35/45/52/719354552.db2.gz SPMYSILFIOSSFQ-UHFFFAOYSA-N 1 2 474.559 5.262 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164663380 719355835 /nfs/dbraw/zinc/35/58/35/719355835.db2.gz DLGAZMOKVPRAST-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(F)ccc3c(Cl)ncnc31)CC2 ZINC001164663380 719355838 /nfs/dbraw/zinc/35/58/38/719355838.db2.gz DLGAZMOKVPRAST-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nnc(Cc4ccccc4)c4ccccc42)CC3)cc1 ZINC001164672703 719520939 /nfs/dbraw/zinc/52/09/39/719520939.db2.gz MXEPGVIBIMZDIC-UHFFFAOYSA-N 1 2 482.603 5.231 20 0 JKADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nnc(Cc4ccccc4)c4ccccc42)CC3)cc1 ZINC001164672703 719520942 /nfs/dbraw/zinc/52/09/42/719520942.db2.gz MXEPGVIBIMZDIC-UHFFFAOYSA-N 1 2 482.603 5.231 20 0 JKADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2nc(Cl)cc(Cl)c2c1 ZINC001164721779 720313764 /nfs/dbraw/zinc/31/37/64/720313764.db2.gz HSRWTPDZHRLJOK-IBGZPJMESA-N 1 2 482.362 5.104 20 0 JKADLO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758100 720976171 /nfs/dbraw/zinc/97/61/71/720976171.db2.gz SZUYDSIWWWHHDI-HNNXBMFYSA-N 1 2 467.347 5.346 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756491 720985763 /nfs/dbraw/zinc/98/57/63/720985763.db2.gz JFZYHMXGWSHAFZ-KRWDZBQOSA-N 1 2 493.385 5.860 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cnc1Cl ZINC001164874177 721220029 /nfs/dbraw/zinc/22/00/29/721220029.db2.gz SWOWYORIHBMUFC-UHFFFAOYSA-N 1 2 488.941 5.357 20 0 JKADLO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164782526 721439196 /nfs/dbraw/zinc/43/91/96/721439196.db2.gz JYMWAKZSCIPHBL-RTBURBONSA-N 1 2 490.023 5.490 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784896 721439823 /nfs/dbraw/zinc/43/98/23/721439823.db2.gz QZLDMTSIWZZXOS-OKILXGFUSA-N 1 2 452.983 5.033 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784896 721439826 /nfs/dbraw/zinc/43/98/26/721439826.db2.gz QZLDMTSIWZZXOS-OKILXGFUSA-N 1 2 452.983 5.033 20 0 JKADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc31)C2 ZINC001165011389 721706955 /nfs/dbraw/zinc/70/69/55/721706955.db2.gz RVOQOERAUWHNER-UHFFFAOYSA-N 1 2 496.446 5.446 20 0 JKADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc31)C2 ZINC001165011389 721706966 /nfs/dbraw/zinc/70/69/66/721706966.db2.gz RVOQOERAUWHNER-UHFFFAOYSA-N 1 2 496.446 5.446 20 0 JKADLO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[C@H](c5ccncc5)C4)c23)c1 ZINC001165040745 721928747 /nfs/dbraw/zinc/92/87/47/721928747.db2.gz MASQKRZSXWQAEE-IBGZPJMESA-N 1 2 461.660 5.795 20 0 JKADLO FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c(Cl)nn1 ZINC001165056111 722021058 /nfs/dbraw/zinc/02/10/58/722021058.db2.gz WKIUTEQTEWRAIB-UHFFFAOYSA-N 1 2 497.899 5.120 20 0 JKADLO COc1cc2ncnc3c2cc1OCCCCC[N@H+](C)Cc1ccc(Br)cc1N3 ZINC000043151225 563167908 /nfs/dbraw/zinc/16/79/08/563167908.db2.gz JXDYOSVKVSQGJM-UHFFFAOYSA-N 1 2 457.372 5.139 20 0 investigational JKADLO COc1cc2ncnc3c2cc1OCCCCC[N@@H+](C)Cc1ccc(Br)cc1N3 ZINC000043151225 563167909 /nfs/dbraw/zinc/16/79/09/563167909.db2.gz JXDYOSVKVSQGJM-UHFFFAOYSA-N 1 2 457.372 5.139 20 0 investigational JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164664091 719348754 /nfs/dbraw/zinc/34/87/54/719348754.db2.gz QUQZOMITDYUNTN-UHFFFAOYSA-N 1 2 494.977 5.256 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3cc(F)c(F)cc3nc1Cl)CC2 ZINC001164664091 719348757 /nfs/dbraw/zinc/34/87/57/719348757.db2.gz QUQZOMITDYUNTN-UHFFFAOYSA-N 1 2 494.977 5.256 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164663787 719348860 /nfs/dbraw/zinc/34/88/60/719348860.db2.gz LSRPEBOXXSEMRO-UHFFFAOYSA-N 1 2 476.675 5.108 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)nc3ccsc31)CC2 ZINC001164663787 719348862 /nfs/dbraw/zinc/34/88/62/719348862.db2.gz LSRPEBOXXSEMRO-UHFFFAOYSA-N 1 2 476.675 5.108 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164663753 719349695 /nfs/dbraw/zinc/34/96/95/719349695.db2.gz LFKZOLICMMSZDA-UHFFFAOYSA-N 1 2 473.024 5.286 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3cccc(C)c31)CC2 ZINC001164663753 719349698 /nfs/dbraw/zinc/34/96/98/719349698.db2.gz LFKZOLICMMSZDA-UHFFFAOYSA-N 1 2 473.024 5.286 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164658955 719350391 /nfs/dbraw/zinc/35/03/91/719350391.db2.gz MXHGCQHOURTUJH-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164658955 719350393 /nfs/dbraw/zinc/35/03/93/719350393.db2.gz MXHGCQHOURTUJH-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164660540 719350397 /nfs/dbraw/zinc/35/03/97/719350397.db2.gz UURGDUSMDNCESU-UHFFFAOYSA-N 1 2 492.627 5.029 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)Nc3ccccc3)ccn1)CC2 ZINC001164660540 719350400 /nfs/dbraw/zinc/35/04/00/719350400.db2.gz UURGDUSMDNCESU-UHFFFAOYSA-N 1 2 492.627 5.029 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164657978 719353370 /nfs/dbraw/zinc/35/33/70/719353370.db2.gz ATRFYSBTTHVOFR-UHFFFAOYSA-N 1 2 488.636 5.123 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)CC2 ZINC001164657978 719353372 /nfs/dbraw/zinc/35/33/72/719353372.db2.gz ATRFYSBTTHVOFR-UHFFFAOYSA-N 1 2 488.636 5.123 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164657957 719354543 /nfs/dbraw/zinc/35/45/43/719354543.db2.gz AKFALFWHKRJOHV-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164657957 719354546 /nfs/dbraw/zinc/35/45/46/719354546.db2.gz AKFALFWHKRJOHV-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4scc(-c5cccs5)c42)CC3)cc1 ZINC001164672176 719500788 /nfs/dbraw/zinc/50/07/88/719500788.db2.gz GKIALRWHGLTUIO-UHFFFAOYSA-N 1 2 480.634 5.430 20 0 JKADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4scc(-c5cccs5)c42)CC3)cc1 ZINC001164672176 719500796 /nfs/dbraw/zinc/50/07/96/719500796.db2.gz GKIALRWHGLTUIO-UHFFFAOYSA-N 1 2 480.634 5.430 20 0 JKADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164726147 720316246 /nfs/dbraw/zinc/31/62/46/720316246.db2.gz YBELVMANVKCGKO-OAQYLSRUSA-N 1 2 491.945 5.103 20 0 JKADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC001164721358 720317147 /nfs/dbraw/zinc/31/71/47/720317147.db2.gz GNMGWGWCTSXEBQ-OAQYLSRUSA-N 1 2 480.003 5.345 20 0 JKADLO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758102 720976366 /nfs/dbraw/zinc/97/63/66/720976366.db2.gz SZUYDSIWWWHHDI-OAHLLOKOSA-N 1 2 467.347 5.346 20 0 JKADLO Fc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)cnc2Cl)c1 ZINC001164756169 720981345 /nfs/dbraw/zinc/98/13/45/720981345.db2.gz FYFCEWVNIMBIBE-KRWDZBQOSA-N 1 2 476.930 5.346 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cnc1Cl ZINC001164758947 720981712 /nfs/dbraw/zinc/98/17/12/720981712.db2.gz XMYXGVJYTNJPSC-KRWDZBQOSA-N 1 2 476.930 5.346 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756492 720985236 /nfs/dbraw/zinc/98/52/36/720985236.db2.gz JFZYHMXGWSHAFZ-QGZVFWFLSA-N 1 2 493.385 5.860 20 0 JKADLO COc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)cnc2Cl)c1 ZINC001164757855 720985974 /nfs/dbraw/zinc/98/59/74/720985974.db2.gz RCGQAPAHONIDEZ-GOSISDBHSA-N 1 2 488.966 5.215 20 0 JKADLO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875112 721217883 /nfs/dbraw/zinc/21/78/83/721217883.db2.gz WDLLNJHZQIUSFK-UHFFFAOYSA-N 1 2 479.358 5.357 20 0 JKADLO Fc1ccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)cnc2Cl)cc1 ZINC001164869481 721221772 /nfs/dbraw/zinc/22/17/72/721221772.db2.gz COBLXWSEURNPKV-UHFFFAOYSA-N 1 2 488.941 5.357 20 0 JKADLO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770617 721273534 /nfs/dbraw/zinc/27/35/34/721273534.db2.gz UUCQPGHPBLKPRO-OAHLLOKOSA-N 1 2 490.341 5.393 20 0 JKADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccsc3)nc3sc4c(c31)CCCC4)C2 ZINC001165011709 721716613 /nfs/dbraw/zinc/71/66/13/721716613.db2.gz SLHCCMZDHSUENC-UHFFFAOYSA-N 1 2 493.706 5.141 20 0 JKADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccsc3)nc3sc4c(c31)CCCC4)C2 ZINC001165011709 721716620 /nfs/dbraw/zinc/71/66/20/721716620.db2.gz SLHCCMZDHSUENC-UHFFFAOYSA-N 1 2 493.706 5.141 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc32)CC1 ZINC001164918968 721816516 /nfs/dbraw/zinc/81/65/16/721816516.db2.gz XURVPQCXZNSQFD-UHFFFAOYSA-N 1 2 493.442 5.550 20 0 JKADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)CC1 ZINC001164919118 721820831 /nfs/dbraw/zinc/82/08/31/721820831.db2.gz MSOLRSDJGJKMQK-UHFFFAOYSA-N 1 2 475.946 5.032 20 0 JKADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)CC1 ZINC001164919118 721820833 /nfs/dbraw/zinc/82/08/33/721820833.db2.gz MSOLRSDJGJKMQK-UHFFFAOYSA-N 1 2 475.946 5.032 20 0 JKADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)CC1 ZINC001164919530 721822310 /nfs/dbraw/zinc/82/23/10/721822310.db2.gz SHDWZGHJTKOXRC-UHFFFAOYSA-N 1 2 464.004 5.274 20 0 JKADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)CC1 ZINC001164919530 721822311 /nfs/dbraw/zinc/82/23/11/721822311.db2.gz SHDWZGHJTKOXRC-UHFFFAOYSA-N 1 2 464.004 5.274 20 0 JKADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCC[C@@H]3c3cccnc3)c2c1C ZINC001165046969 721963567 /nfs/dbraw/zinc/96/35/67/721963567.db2.gz QRVMCMOPHSTVFI-HXUWFJFHSA-N 1 2 479.650 5.289 20 0 JKADLO FC(F)(c1cccc2ccnc(Cl)c21)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417978 718890585 /nfs/dbraw/zinc/89/05/85/718890585.db2.gz MGRYQRJODZFFME-INIZCTEOSA-N 1 2 493.739 5.421 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164658963 719352436 /nfs/dbraw/zinc/35/24/36/719352436.db2.gz NKKXALYFJXUPOC-UHFFFAOYSA-N 1 2 473.024 5.286 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccc(C)c31)CC2 ZINC001164658963 719352438 /nfs/dbraw/zinc/35/24/38/719352438.db2.gz NKKXALYFJXUPOC-UHFFFAOYSA-N 1 2 473.024 5.286 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164665429 719355845 /nfs/dbraw/zinc/35/58/45/719355845.db2.gz XCEMVHCXFNHZCG-UHFFFAOYSA-N 1 2 474.609 5.039 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164665429 719355848 /nfs/dbraw/zinc/35/58/48/719355848.db2.gz XCEMVHCXFNHZCG-UHFFFAOYSA-N 1 2 474.609 5.039 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164664222 719355969 /nfs/dbraw/zinc/35/59/69/719355969.db2.gz MHEXELPCTPJKDC-UHFFFAOYSA-N 1 2 482.607 5.286 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)c(-c3ccccc3F)n1)CC2 ZINC001164664222 719355971 /nfs/dbraw/zinc/35/59/71/719355971.db2.gz MHEXELPCTPJKDC-UHFFFAOYSA-N 1 2 482.607 5.286 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164665023 719356129 /nfs/dbraw/zinc/35/61/29/719356129.db2.gz UKWRRRGWQQYIMB-UHFFFAOYSA-N 1 2 496.684 5.464 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164665023 719356132 /nfs/dbraw/zinc/35/61/32/719356132.db2.gz UKWRRRGWQQYIMB-UHFFFAOYSA-N 1 2 496.684 5.464 20 0 JKADLO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164663481 719356565 /nfs/dbraw/zinc/35/65/65/719356565.db2.gz GJOWWVVMASDEHP-HXUWFJFHSA-N 1 2 469.637 5.166 20 0 JKADLO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164663481 719356568 /nfs/dbraw/zinc/35/65/68/719356568.db2.gz GJOWWVVMASDEHP-HXUWFJFHSA-N 1 2 469.637 5.166 20 0 JKADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cnc(Cl)nc2Oc2cccc(F)c2)CC3)cc1 ZINC001164678472 719531077 /nfs/dbraw/zinc/53/10/77/719531077.db2.gz LGQSZZQTZYYWDU-UHFFFAOYSA-N 1 2 486.950 5.072 20 0 JKADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cnc(Cl)nc2Oc2cccc(F)c2)CC3)cc1 ZINC001164678472 719531088 /nfs/dbraw/zinc/53/10/88/719531088.db2.gz LGQSZZQTZYYWDU-UHFFFAOYSA-N 1 2 486.950 5.072 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873090 721222874 /nfs/dbraw/zinc/22/28/74/721222874.db2.gz PXAMEQPGLLXKBR-UHFFFAOYSA-N 1 2 476.980 5.279 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cnc1Cl ZINC001164771041 721276548 /nfs/dbraw/zinc/27/65/48/721276548.db2.gz YUHIVOVWMHTJBO-KRWDZBQOSA-N 1 2 499.924 5.393 20 0 JKADLO Fc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)cnc2Cl)c1 ZINC001164767108 721277096 /nfs/dbraw/zinc/27/70/96/721277096.db2.gz GJSBKTGOGYUFSN-QGZVFWFLSA-N 1 2 499.924 5.393 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cnc1Cl ZINC001164784847 721432609 /nfs/dbraw/zinc/43/26/09/721432609.db2.gz MSQJUSQSAXOECZ-GJZGRUSLSA-N 1 2 464.944 5.111 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cnc1Cl ZINC001164784845 721432972 /nfs/dbraw/zinc/43/29/72/721432972.db2.gz MSQJUSQSAXOECZ-GASCZTMLSA-N 1 2 464.944 5.111 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cnc1Cl ZINC001164784845 721432973 /nfs/dbraw/zinc/43/29/73/721432973.db2.gz MSQJUSQSAXOECZ-GASCZTMLSA-N 1 2 464.944 5.111 20 0 JKADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc(Cl)c1-c1ccccc1)C2 ZINC001165009822 721704016 /nfs/dbraw/zinc/70/40/16/721704016.db2.gz FBEZVHZJAAQHHC-UHFFFAOYSA-N 1 2 488.039 5.306 20 0 JKADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc(Cl)c1-c1ccccc1)C2 ZINC001165009822 721704018 /nfs/dbraw/zinc/70/40/18/721704018.db2.gz FBEZVHZJAAQHHC-UHFFFAOYSA-N 1 2 488.039 5.306 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)CC1 ZINC001164919020 721820903 /nfs/dbraw/zinc/82/09/03/721820903.db2.gz KIDLBWNFEGQWNO-UHFFFAOYSA-N 1 2 456.638 5.137 20 0 JKADLO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@H](c5ccncc5)C4)c23)c1 ZINC001165040746 721928868 /nfs/dbraw/zinc/92/88/68/721928868.db2.gz MASQKRZSXWQAEE-LJQANCHMSA-N 1 2 461.660 5.795 20 0 JKADLO FC(F)(c1ccc2c(Cl)nccc2c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419708 718891175 /nfs/dbraw/zinc/89/11/75/718891175.db2.gz QWTPEKNZXVTEEM-KRWDZBQOSA-N 1 2 493.739 5.421 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164664471 719346830 /nfs/dbraw/zinc/34/68/30/719346830.db2.gz VBQBOCNEMMSIIF-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164664471 719346833 /nfs/dbraw/zinc/34/68/33/719346833.db2.gz VBQBOCNEMMSIIF-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164663552 719347040 /nfs/dbraw/zinc/34/70/40/719347040.db2.gz KKEJJDKQBWXIAO-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3ccc(F)cc31)CC2 ZINC001164663552 719347041 /nfs/dbraw/zinc/34/70/41/719347041.db2.gz KKEJJDKQBWXIAO-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164664058 719347374 /nfs/dbraw/zinc/34/73/74/719347374.db2.gz PIRIJLVLOWWGLF-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164664058 719347378 /nfs/dbraw/zinc/34/73/78/719347378.db2.gz PIRIJLVLOWWGLF-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164664060 719348345 /nfs/dbraw/zinc/34/83/45/719348345.db2.gz PJMOGLFFZSONSJ-UHFFFAOYSA-N 1 2 479.053 5.348 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3sc(C)cc31)CC2 ZINC001164664060 719348348 /nfs/dbraw/zinc/34/83/48/719348348.db2.gz PJMOGLFFZSONSJ-UHFFFAOYSA-N 1 2 479.053 5.348 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3sc(C)c(C)c31)CC2 ZINC001164662944 719349865 /nfs/dbraw/zinc/34/98/65/719349865.db2.gz BHMHJOWWHCHRKZ-UHFFFAOYSA-N 1 2 472.662 5.311 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3sc(C)c(C)c31)CC2 ZINC001164662944 719349868 /nfs/dbraw/zinc/34/98/68/719349868.db2.gz BHMHJOWWHCHRKZ-UHFFFAOYSA-N 1 2 472.662 5.311 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164658389 719350416 /nfs/dbraw/zinc/35/04/16/719350416.db2.gz GBVPNGLDICLONN-UHFFFAOYSA-N 1 2 458.009 5.583 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164658389 719350417 /nfs/dbraw/zinc/35/04/17/719350417.db2.gz GBVPNGLDICLONN-UHFFFAOYSA-N 1 2 458.009 5.583 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164662972 719350706 /nfs/dbraw/zinc/35/07/06/719350706.db2.gz BPJSEXYXGQQUAQ-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164662972 719350708 /nfs/dbraw/zinc/35/07/08/719350708.db2.gz BPJSEXYXGQQUAQ-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164658971 719352964 /nfs/dbraw/zinc/35/29/64/719352964.db2.gz NSBZYYFLFYBOSP-UHFFFAOYSA-N 1 2 494.430 5.026 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(Cl)nccc31)CC2 ZINC001164658971 719352967 /nfs/dbraw/zinc/35/29/67/719352967.db2.gz NSBZYYFLFYBOSP-UHFFFAOYSA-N 1 2 494.430 5.026 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164659944 719353789 /nfs/dbraw/zinc/35/37/89/719353789.db2.gz STBLVYIVWHZRBZ-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164659944 719353792 /nfs/dbraw/zinc/35/37/92/719353792.db2.gz STBLVYIVWHZRBZ-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CCc1nc(Cl)c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c(Cl)n1 ZINC001164658429 719354489 /nfs/dbraw/zinc/35/44/89/719354489.db2.gz GTZUDUUUYARDES-UHFFFAOYSA-N 1 2 471.436 5.041 20 0 JKADLO CCc1nc(Cl)c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c(Cl)n1 ZINC001164658429 719354494 /nfs/dbraw/zinc/35/44/94/719354494.db2.gz GTZUDUUUYARDES-UHFFFAOYSA-N 1 2 471.436 5.041 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164660900 719354564 /nfs/dbraw/zinc/35/45/64/719354564.db2.gz ZPCSEYTXWMFFLX-UHFFFAOYSA-N 1 2 463.029 5.011 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(C)nc(C3CC3)nc1Cl)CC2 ZINC001164660900 719354566 /nfs/dbraw/zinc/35/45/66/719354566.db2.gz ZPCSEYTXWMFFLX-UHFFFAOYSA-N 1 2 463.029 5.011 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164663904 719355774 /nfs/dbraw/zinc/35/57/74/719355774.db2.gz IOVONKAWESVGJU-UHFFFAOYSA-N 1 2 493.442 5.631 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164663904 719355777 /nfs/dbraw/zinc/35/57/77/719355777.db2.gz IOVONKAWESVGJU-UHFFFAOYSA-N 1 2 493.442 5.631 20 0 JKADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164664905 719356193 /nfs/dbraw/zinc/35/61/93/719356193.db2.gz RYBGKGBDARUWBB-UHFFFAOYSA-N 1 2 471.436 5.041 20 0 JKADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164664905 719356196 /nfs/dbraw/zinc/35/61/96/719356196.db2.gz RYBGKGBDARUWBB-UHFFFAOYSA-N 1 2 471.436 5.041 20 0 JKADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164724593 720316415 /nfs/dbraw/zinc/31/64/15/720316415.db2.gz RSZBNXDYXBWQJH-OAQYLSRUSA-N 1 2 491.945 5.103 20 0 JKADLO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757818 720974072 /nfs/dbraw/zinc/97/40/72/720974072.db2.gz QZDLXIUURCBCAS-GOSISDBHSA-N 1 2 458.940 5.206 20 0 JKADLO Fc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)cnc2Cl)c1 ZINC001164756170 720981549 /nfs/dbraw/zinc/98/15/49/720981549.db2.gz FYFCEWVNIMBIBE-QGZVFWFLSA-N 1 2 476.930 5.346 20 0 JKADLO Cc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)cnc2Cl)c1 ZINC001164756718 720985432 /nfs/dbraw/zinc/98/54/32/720985432.db2.gz JRUILCHIWPVAJN-LJQANCHMSA-N 1 2 472.967 5.515 20 0 JKADLO COc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)cnc2Cl)c1 ZINC001164757858 720985602 /nfs/dbraw/zinc/98/56/02/720985602.db2.gz RCGQAPAHONIDEZ-SFHVURJKSA-N 1 2 488.966 5.215 20 0 JKADLO Fc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)cnc2Cl)cc1 ZINC001164767170 721276148 /nfs/dbraw/zinc/27/61/48/721276148.db2.gz HJLFKGZDLVMKBX-KRWDZBQOSA-N 1 2 499.924 5.393 20 0 JKADLO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766289 721276236 /nfs/dbraw/zinc/27/62/36/721276236.db2.gz BTNIKUSOGIYYNR-GOSISDBHSA-N 1 2 497.933 5.134 20 0 JKADLO Cc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)cnc2Cl)c1 ZINC001164766295 721278524 /nfs/dbraw/zinc/27/85/24/721278524.db2.gz BZADSLJQZBMUSA-LJQANCHMSA-N 1 2 495.961 5.562 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC001164919194 721820125 /nfs/dbraw/zinc/82/01/25/721820125.db2.gz NZWOGZJWQWNXKC-UHFFFAOYSA-N 1 2 493.442 5.550 20 0 JKADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(SCc5ccccc5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164987379 722185634 /nfs/dbraw/zinc/18/56/34/722185634.db2.gz KBZNNESMWFIJLK-ZEQRLZLVSA-N 1 2 466.676 5.009 20 0 JKADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(SCc5ccccc5)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164987376 722185656 /nfs/dbraw/zinc/18/56/56/722185656.db2.gz KBZNNESMWFIJLK-BJKOFHAPSA-N 1 2 466.676 5.009 20 0 JKADLO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415730 718890091 /nfs/dbraw/zinc/89/00/91/718890091.db2.gz ACBOSTOJYLUEJD-QGZVFWFLSA-N 1 2 493.739 5.421 20 0 JKADLO FC(F)(c1cccc2c(Cl)nccc21)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420801 718890440 /nfs/dbraw/zinc/89/04/40/718890440.db2.gz WAOZLCZSEKTXKM-KRWDZBQOSA-N 1 2 493.739 5.421 20 0 JKADLO FC(F)(c1cccc2c(Cl)nccc21)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420804 718890646 /nfs/dbraw/zinc/89/06/46/718890646.db2.gz WAOZLCZSEKTXKM-QGZVFWFLSA-N 1 2 493.739 5.421 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164664089 719348299 /nfs/dbraw/zinc/34/82/99/719348299.db2.gz QSZQONISUHOZGL-UHFFFAOYSA-N 1 2 458.009 5.583 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164664089 719348301 /nfs/dbraw/zinc/34/83/01/719348301.db2.gz QSZQONISUHOZGL-UHFFFAOYSA-N 1 2 458.009 5.583 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164663436 719348545 /nfs/dbraw/zinc/34/85/45/719348545.db2.gz GTUIJQJJJBBHCG-UHFFFAOYSA-N 1 2 492.718 5.040 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164663436 719348548 /nfs/dbraw/zinc/34/85/48/719348548.db2.gz GTUIJQJJJBBHCG-UHFFFAOYSA-N 1 2 492.718 5.040 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164663801 719349027 /nfs/dbraw/zinc/34/90/27/719349027.db2.gz MFMOQJJOCBFRCR-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c(F)cccc31)CC2 ZINC001164663801 719349029 /nfs/dbraw/zinc/34/90/29/719349029.db2.gz MFMOQJJOCBFRCR-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164663876 719350620 /nfs/dbraw/zinc/35/06/20/719350620.db2.gz OHSZLDPRYDSQKX-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164663876 719350623 /nfs/dbraw/zinc/35/06/23/719350623.db2.gz OHSZLDPRYDSQKX-UHFFFAOYSA-N 1 2 485.035 5.492 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164660524 719354419 /nfs/dbraw/zinc/35/44/19/719354419.db2.gz USOFMHDVJWITCW-UHFFFAOYSA-N 1 2 484.579 5.103 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164660524 719354423 /nfs/dbraw/zinc/35/44/23/719354423.db2.gz USOFMHDVJWITCW-UHFFFAOYSA-N 1 2 484.579 5.103 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3scc(C)c31)CC2 ZINC001164660753 719354524 /nfs/dbraw/zinc/35/45/24/719354524.db2.gz YOOKTUQGJJFYAI-UHFFFAOYSA-N 1 2 458.635 5.003 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3scc(C)c31)CC2 ZINC001164660753 719354525 /nfs/dbraw/zinc/35/45/25/719354525.db2.gz YOOKTUQGJJFYAI-UHFFFAOYSA-N 1 2 458.635 5.003 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164660693 719355522 /nfs/dbraw/zinc/35/55/22/719355522.db2.gz XKIWCOATPQOGGL-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3ccc(F)cc31)CC2 ZINC001164660693 719355526 /nfs/dbraw/zinc/35/55/26/719355526.db2.gz XKIWCOATPQOGGL-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164664628 719356015 /nfs/dbraw/zinc/35/60/15/719356015.db2.gz PUCWNONEQIKFJD-UHFFFAOYSA-N 1 2 470.646 5.046 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(SC)cc31)CC2 ZINC001164664628 719356019 /nfs/dbraw/zinc/35/60/19/719356019.db2.gz PUCWNONEQIKFJD-UHFFFAOYSA-N 1 2 470.646 5.046 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164664111 719356033 /nfs/dbraw/zinc/35/60/33/719356033.db2.gz KROIVMVGSQIPJF-UHFFFAOYSA-N 1 2 482.607 5.286 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(-c3cccc(F)c3)cc1C)CC2 ZINC001164664111 719356036 /nfs/dbraw/zinc/35/60/36/719356036.db2.gz KROIVMVGSQIPJF-UHFFFAOYSA-N 1 2 482.607 5.286 20 0 JKADLO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676506 719567500 /nfs/dbraw/zinc/56/75/00/719567500.db2.gz FPQVPXYFXVMZBH-UHFFFAOYSA-N 1 2 492.917 5.291 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676366 719568582 /nfs/dbraw/zinc/56/85/82/719568582.db2.gz CNOXENAZNJBWEM-UHFFFAOYSA-N 1 2 476.314 5.396 20 0 JKADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccc(F)cc2)c1 ZINC001164723416 720316656 /nfs/dbraw/zinc/31/66/56/720316656.db2.gz OQROWWMQSKRYQJ-OAQYLSRUSA-N 1 2 491.945 5.103 20 0 JKADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(C2CCCCC2)c1 ZINC001164721353 720317351 /nfs/dbraw/zinc/31/73/51/720317351.db2.gz GNMGWGWCTSXEBQ-NRFANRHFSA-N 1 2 480.003 5.345 20 0 JKADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(C)c2)c1 ZINC001164722277 720318149 /nfs/dbraw/zinc/31/81/49/720318149.db2.gz JYLDEKQWVIUXOB-JOCHJYFZSA-N 1 2 487.982 5.273 20 0 JKADLO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757821 720974591 /nfs/dbraw/zinc/97/45/91/720974591.db2.gz QZDLXIUURCBCAS-SFHVURJKSA-N 1 2 458.940 5.206 20 0 JKADLO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875818 721218155 /nfs/dbraw/zinc/21/81/55/721218155.db2.gz XVUUCBVIDAJSNH-UHFFFAOYSA-N 1 2 470.951 5.218 20 0 JKADLO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770084 721273238 /nfs/dbraw/zinc/27/32/38/721273238.db2.gz UUCQPGHPBLKPRO-HNNXBMFYSA-N 1 2 490.341 5.393 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cnc1Cl ZINC001164771046 721276425 /nfs/dbraw/zinc/27/64/25/721276425.db2.gz YUHIVOVWMHTJBO-QGZVFWFLSA-N 1 2 499.924 5.393 20 0 JKADLO Fc1ccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)cnc2Cl)cc1 ZINC001164767172 721277165 /nfs/dbraw/zinc/27/71/65/721277165.db2.gz HJLFKGZDLVMKBX-QGZVFWFLSA-N 1 2 499.924 5.393 20 0 JKADLO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785880 721438211 /nfs/dbraw/zinc/43/82/11/721438211.db2.gz TVAUYQZEXXOUIK-CALCHBBNSA-N 1 2 498.002 5.520 20 0 JKADLO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785880 721438214 /nfs/dbraw/zinc/43/82/14/721438214.db2.gz TVAUYQZEXXOUIK-CALCHBBNSA-N 1 2 498.002 5.520 20 0 JKADLO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164782512 721438979 /nfs/dbraw/zinc/43/89/79/721438979.db2.gz JYMWAKZSCIPHBL-KDURUIRLSA-N 1 2 490.023 5.490 20 0 JKADLO CC(C)c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164782512 721438981 /nfs/dbraw/zinc/43/89/81/721438981.db2.gz JYMWAKZSCIPHBL-KDURUIRLSA-N 1 2 490.023 5.490 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784890 721439597 /nfs/dbraw/zinc/43/95/97/721439597.db2.gz QZLDMTSIWZZXOS-KBPBESRZSA-N 1 2 452.983 5.033 20 0 JKADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(C3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001165011418 721716168 /nfs/dbraw/zinc/71/61/68/721716168.db2.gz QDMJTKZAXVZSLO-UHFFFAOYSA-N 1 2 479.698 5.070 20 0 JKADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(C3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001165011418 721716171 /nfs/dbraw/zinc/71/61/71/721716171.db2.gz QDMJTKZAXVZSLO-UHFFFAOYSA-N 1 2 479.698 5.070 20 0 JKADLO Cc1cccc(-c2cc(C(F)(F)N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)cnc2Cl)c1 ZINC001165010394 721722456 /nfs/dbraw/zinc/72/24/56/721722456.db2.gz HAFBEEAAINOBNE-UHFFFAOYSA-N 1 2 474.987 5.097 20 0 JKADLO Cc1cccc(-c2cc(C(F)(F)N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)cnc2Cl)c1 ZINC001165010394 721722457 /nfs/dbraw/zinc/72/24/57/721722457.db2.gz HAFBEEAAINOBNE-UHFFFAOYSA-N 1 2 474.987 5.097 20 0 JKADLO O=C(c1cccnc1N1CCC(c2nc3ccccc3s2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165050291 721988847 /nfs/dbraw/zinc/98/88/47/721988847.db2.gz ANDFZCXXSCWYGV-UHFFFAOYSA-N 1 2 497.668 5.033 20 0 JKADLO COc1cc2[nH+]ccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4)cc3)c2cc1OC ZINC000013684369 562984301 /nfs/dbraw/zinc/98/43/01/562984301.db2.gz ATWXIAXXSMESBD-UHFFFAOYSA-N 1 2 459.527 5.171 20 0 JKADLO FC(F)(c1cccc2ccnc(Cl)c21)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417979 718890500 /nfs/dbraw/zinc/89/05/00/718890500.db2.gz MGRYQRJODZFFME-MRXNPFEDSA-N 1 2 493.739 5.421 20 0 JKADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417471 718890887 /nfs/dbraw/zinc/89/08/87/718890887.db2.gz KPZOLXPRIXSNSK-MRXNPFEDSA-N 1 2 483.744 5.145 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)nc3sccc31)CC2 ZINC001164664136 719346150 /nfs/dbraw/zinc/34/61/50/719346150.db2.gz SCCYXFBYDBEWMH-UHFFFAOYSA-N 1 2 476.675 5.108 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)nc3sccc31)CC2 ZINC001164664136 719346152 /nfs/dbraw/zinc/34/61/52/719346152.db2.gz SCCYXFBYDBEWMH-UHFFFAOYSA-N 1 2 476.675 5.108 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164663444 719349293 /nfs/dbraw/zinc/34/92/93/719349293.db2.gz GYUDRMCBCPNULK-UHFFFAOYSA-N 1 2 454.043 5.152 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(Cl)cc1SC)CC2 ZINC001164663444 719349298 /nfs/dbraw/zinc/34/92/98/719349298.db2.gz GYUDRMCBCPNULK-UHFFFAOYSA-N 1 2 454.043 5.152 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164664095 719350600 /nfs/dbraw/zinc/35/06/00/719350600.db2.gz QWHVSGAQJFFAHF-UHFFFAOYSA-N 1 2 473.024 5.286 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cc(C)ccc31)CC2 ZINC001164664095 719350603 /nfs/dbraw/zinc/35/06/03/719350603.db2.gz QWHVSGAQJFFAHF-UHFFFAOYSA-N 1 2 473.024 5.286 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164658177 719353413 /nfs/dbraw/zinc/35/34/13/719353413.db2.gz FCBYTZRNPSPVPO-UHFFFAOYSA-N 1 2 484.579 5.103 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164658177 719353418 /nfs/dbraw/zinc/35/34/18/719353418.db2.gz FCBYTZRNPSPVPO-UHFFFAOYSA-N 1 2 484.579 5.103 20 0 JKADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@H+]4CC)nn2)cc1 ZINC001164658586 719354571 /nfs/dbraw/zinc/35/45/71/719354571.db2.gz JUHJLITXLHINAK-UHFFFAOYSA-N 1 2 494.643 5.237 20 0 JKADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CC[N@@H+]4CC)nn2)cc1 ZINC001164658586 719354572 /nfs/dbraw/zinc/35/45/72/719354572.db2.gz JUHJLITXLHINAK-UHFFFAOYSA-N 1 2 494.643 5.237 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164658378 719355532 /nfs/dbraw/zinc/35/55/32/719355532.db2.gz FUBHXJIYVURDKY-UHFFFAOYSA-N 1 2 493.442 5.631 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164658378 719355534 /nfs/dbraw/zinc/35/55/34/719355534.db2.gz FUBHXJIYVURDKY-UHFFFAOYSA-N 1 2 493.442 5.631 20 0 JKADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2ccccc2F)c1 ZINC001164726145 720316630 /nfs/dbraw/zinc/31/66/30/720316630.db2.gz YBELVMANVKCGKO-NRFANRHFSA-N 1 2 491.945 5.103 20 0 JKADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(-c2cccc(F)c2)c1 ZINC001164724592 720316640 /nfs/dbraw/zinc/31/66/40/720316640.db2.gz RSZBNXDYXBWQJH-NRFANRHFSA-N 1 2 491.945 5.103 20 0 JKADLO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755553 720980405 /nfs/dbraw/zinc/98/04/05/720980405.db2.gz AMSOABIYAPPMTI-FQEVSTJZSA-N 1 2 488.966 5.118 20 0 JKADLO Cc1cccc(-c2cc(C(F)(F)N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)cnc2Cl)c1 ZINC001164756717 720984068 /nfs/dbraw/zinc/98/40/68/720984068.db2.gz JRUILCHIWPVAJN-IBGZPJMESA-N 1 2 472.967 5.515 20 0 JKADLO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766661 721273329 /nfs/dbraw/zinc/27/33/29/721273329.db2.gz OFWBKHCIRZBAEH-SFHVURJKSA-N 1 2 481.934 5.254 20 0 JKADLO Fc1ccccc1-c1cc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cnc1Cl ZINC001164784849 721432778 /nfs/dbraw/zinc/43/27/78/721432778.db2.gz MSQJUSQSAXOECZ-HUUCEWRRSA-N 1 2 464.944 5.111 20 0 JKADLO FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164785883 721438367 /nfs/dbraw/zinc/43/83/67/721438367.db2.gz TVAUYQZEXXOUIK-IAGOWNOFSA-N 1 2 498.002 5.520 20 0 JKADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001164916266 721814872 /nfs/dbraw/zinc/81/48/72/721814872.db2.gz BOIMSXGNXBDXMW-UHFFFAOYSA-N 1 2 466.363 5.033 20 0 JKADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CC1 ZINC001164916266 721814874 /nfs/dbraw/zinc/81/48/74/721814874.db2.gz BOIMSXGNXBDXMW-UHFFFAOYSA-N 1 2 466.363 5.033 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccc(F)cc3)nc3cc(Cl)ccc32)CC1 ZINC001164917817 721816622 /nfs/dbraw/zinc/81/66/22/721816622.db2.gz IBTJEYFSHCQSKQ-UHFFFAOYSA-N 1 2 476.987 5.035 20 0 JKADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(SCc5ccccc5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164987377 722185631 /nfs/dbraw/zinc/18/56/31/722185631.db2.gz KBZNNESMWFIJLK-DNQXCXABSA-N 1 2 466.676 5.009 20 0 JKADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(SCc5ccccc5)cc[nH+]4)CC[C@H]32)cs1 ZINC001164987378 722185686 /nfs/dbraw/zinc/18/56/86/722185686.db2.gz KBZNNESMWFIJLK-RPWUZVMVSA-N 1 2 466.676 5.009 20 0 JKADLO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415729 718890112 /nfs/dbraw/zinc/89/01/12/718890112.db2.gz ACBOSTOJYLUEJD-KRWDZBQOSA-N 1 2 493.739 5.421 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164663379 719348354 /nfs/dbraw/zinc/34/83/54/719348354.db2.gz FPQACBWTGYDYKD-UHFFFAOYSA-N 1 2 458.009 5.583 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164663379 719348357 /nfs/dbraw/zinc/34/83/57/719348357.db2.gz FPQACBWTGYDYKD-UHFFFAOYSA-N 1 2 458.009 5.583 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164664159 719348602 /nfs/dbraw/zinc/34/86/02/719348602.db2.gz SNRVPPVJRSXJBO-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3cccc(F)c31)CC2 ZINC001164664159 719348605 /nfs/dbraw/zinc/34/86/05/719348605.db2.gz SNRVPPVJRSXJBO-UHFFFAOYSA-N 1 2 476.987 5.117 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164662816 719349785 /nfs/dbraw/zinc/34/97/85/719349785.db2.gz AGGBVWGFNVEZLC-UHFFFAOYSA-N 1 2 489.627 5.320 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(-c3c[nH]c4ccccc34)n1)CC2 ZINC001164662816 719349787 /nfs/dbraw/zinc/34/97/87/719349787.db2.gz AGGBVWGFNVEZLC-UHFFFAOYSA-N 1 2 489.627 5.320 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164658903 719351186 /nfs/dbraw/zinc/35/11/86/719351186.db2.gz LPHPNQMYHSVFGY-UHFFFAOYSA-N 1 2 470.646 5.046 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(SC)nc3ccccc31)CC2 ZINC001164658903 719351188 /nfs/dbraw/zinc/35/11/88/719351188.db2.gz LPHPNQMYHSVFGY-UHFFFAOYSA-N 1 2 470.646 5.046 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164658875 719352522 /nfs/dbraw/zinc/35/25/22/719352522.db2.gz KTBDBQORSMIXHI-UHFFFAOYSA-N 1 2 484.579 5.103 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164658875 719352525 /nfs/dbraw/zinc/35/25/25/719352525.db2.gz KTBDBQORSMIXHI-UHFFFAOYSA-N 1 2 484.579 5.103 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164658011 719352734 /nfs/dbraw/zinc/35/27/34/719352734.db2.gz BBDNPNRNWXQCDK-UHFFFAOYSA-N 1 2 493.442 5.631 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164658011 719352735 /nfs/dbraw/zinc/35/27/35/719352735.db2.gz BBDNPNRNWXQCDK-UHFFFAOYSA-N 1 2 493.442 5.631 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ccn3C(C)C)CC2 ZINC001164658952 719353466 /nfs/dbraw/zinc/35/34/66/719353466.db2.gz MVIGFUKRAHUQDY-UHFFFAOYSA-N 1 2 490.055 5.360 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1ccn3C(C)C)CC2 ZINC001164658952 719353470 /nfs/dbraw/zinc/35/34/70/719353470.db2.gz MVIGFUKRAHUQDY-UHFFFAOYSA-N 1 2 490.055 5.360 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3cccs3)n1)CC2 ZINC001164658588 719354252 /nfs/dbraw/zinc/35/42/52/719354252.db2.gz JVWGUTDWULHSIM-UHFFFAOYSA-N 1 2 470.646 5.208 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3cccs3)n1)CC2 ZINC001164658588 719354255 /nfs/dbraw/zinc/35/42/55/719354255.db2.gz JVWGUTDWULHSIM-UHFFFAOYSA-N 1 2 470.646 5.208 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164659516 719354378 /nfs/dbraw/zinc/35/43/78/719354378.db2.gz PZYYRYDJXQMXHH-UHFFFAOYSA-N 1 2 486.570 5.117 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3c(F)cccc3F)nn1)CC2 ZINC001164659516 719354380 /nfs/dbraw/zinc/35/43/80/719354380.db2.gz PZYYRYDJXQMXHH-UHFFFAOYSA-N 1 2 486.570 5.117 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164658995 719354910 /nfs/dbraw/zinc/35/49/10/719354910.db2.gz PBIUQJNVECWCHG-UHFFFAOYSA-N 1 2 470.646 5.208 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(-c3ccsc3)n1)CC2 ZINC001164658995 719354912 /nfs/dbraw/zinc/35/49/12/719354912.db2.gz PBIUQJNVECWCHG-UHFFFAOYSA-N 1 2 470.646 5.208 20 0 JKADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164662948 719355101 /nfs/dbraw/zinc/35/51/01/719355101.db2.gz AZGSEZCHIODBTP-UHFFFAOYSA-N 1 2 465.045 5.257 20 0 JKADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C(C)C)nc(Cl)c1C)CC2 ZINC001164662948 719355104 /nfs/dbraw/zinc/35/51/04/719355104.db2.gz AZGSEZCHIODBTP-UHFFFAOYSA-N 1 2 465.045 5.257 20 0 JKADLO CSc1ccc(Oc2cc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ncn2)cc1 ZINC001164672661 719519920 /nfs/dbraw/zinc/51/99/20/719519920.db2.gz MKDWANVMMQDBBW-UHFFFAOYSA-N 1 2 480.609 5.001 20 0 JKADLO CSc1ccc(Oc2cc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ncn2)cc1 ZINC001164672661 719519929 /nfs/dbraw/zinc/51/99/29/719519929.db2.gz MKDWANVMMQDBBW-UHFFFAOYSA-N 1 2 480.609 5.001 20 0 JKADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(F)ccc2Oc2ccc(Cl)nn2)CC3)cc1 ZINC001164672674 719520885 /nfs/dbraw/zinc/52/08/85/719520885.db2.gz MNMGRUGKISLWII-UHFFFAOYSA-N 1 2 486.950 5.072 20 0 JKADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(F)ccc2Oc2ccc(Cl)nn2)CC3)cc1 ZINC001164672674 719520890 /nfs/dbraw/zinc/52/08/90/719520890.db2.gz MNMGRUGKISLWII-UHFFFAOYSA-N 1 2 486.950 5.072 20 0 JKADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cnc(Cl)nc2Oc2ccccc2F)CC3)cc1 ZINC001164679300 719530745 /nfs/dbraw/zinc/53/07/45/719530745.db2.gz XIEXXAOQHGTMAS-UHFFFAOYSA-N 1 2 486.950 5.072 20 0 JKADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cnc(Cl)nc2Oc2ccccc2F)CC3)cc1 ZINC001164679300 719530755 /nfs/dbraw/zinc/53/07/55/719530755.db2.gz XIEXXAOQHGTMAS-UHFFFAOYSA-N 1 2 486.950 5.072 20 0 JKADLO CC(C)c1ccc(-c2cc(C(F)(F)N3CCc4onc(Cn5cc[nH+]c5)c4C3)c(Cl)nn2)cc1 ZINC001164676563 719568206 /nfs/dbraw/zinc/56/82/06/719568206.db2.gz IOYJDQCDVNIZTQ-UHFFFAOYSA-N 1 2 484.938 5.261 20 0 JKADLO FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755554 720980592 /nfs/dbraw/zinc/98/05/92/720980592.db2.gz AMSOABIYAPPMTI-HXUWFJFHSA-N 1 2 488.966 5.118 20 0 JKADLO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756767 720983658 /nfs/dbraw/zinc/98/36/58/720983658.db2.gz KPARQVWKWONWNL-GOSISDBHSA-N 1 2 474.939 5.086 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757957 720984407 /nfs/dbraw/zinc/98/44/07/720984407.db2.gz RISWPIJQQFWPLR-MRXNPFEDSA-N 1 2 464.969 5.268 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757953 720984610 /nfs/dbraw/zinc/98/46/10/720984610.db2.gz RISWPIJQQFWPLR-INIZCTEOSA-N 1 2 464.969 5.268 20 0 JKADLO Fc1cccc(-c2cc(C(F)(F)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)cnc2Cl)c1 ZINC001164869608 721219485 /nfs/dbraw/zinc/21/94/85/721219485.db2.gz DGRZBNVKPQZWLZ-UHFFFAOYSA-N 1 2 488.941 5.357 20 0 JKADLO FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766290 721276377 /nfs/dbraw/zinc/27/63/77/721276377.db2.gz BTNIKUSOGIYYNR-SFHVURJKSA-N 1 2 497.933 5.134 20 0 JKADLO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784900 721439684 /nfs/dbraw/zinc/43/96/84/721439684.db2.gz QZLDMTSIWZZXOS-ZIAGYGMSSA-N 1 2 452.983 5.033 20 0 JKADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc31)C2 ZINC001165010499 721716780 /nfs/dbraw/zinc/71/67/80/721716780.db2.gz IEIIFPFHBLLKSN-UHFFFAOYSA-N 1 2 496.446 5.446 20 0 JKADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc31)C2 ZINC001165010499 721716788 /nfs/dbraw/zinc/71/67/88/721716788.db2.gz IEIIFPFHBLLKSN-UHFFFAOYSA-N 1 2 496.446 5.446 20 0 JKADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccc(F)cc3)nc3ccc(Cl)cc32)CC1 ZINC001164916710 721814184 /nfs/dbraw/zinc/81/41/84/721814184.db2.gz FYYMASUTXUPJKF-UHFFFAOYSA-N 1 2 476.987 5.035 20 0 JKADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)CC1 ZINC001164919959 721822047 /nfs/dbraw/zinc/82/20/47/721822047.db2.gz ZNYZMHPCSFIAQX-UHFFFAOYSA-N 1 2 492.401 5.546 20 0 JKADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)CC1 ZINC001164919959 721822051 /nfs/dbraw/zinc/82/20/51/721822051.db2.gz ZNYZMHPCSFIAQX-UHFFFAOYSA-N 1 2 492.401 5.546 20 0 JKADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCC[C@H]3c3cccnc3)c2c1C ZINC001165046960 721963495 /nfs/dbraw/zinc/96/34/95/721963495.db2.gz QRVMCMOPHSTVFI-FQEVSTJZSA-N 1 2 479.650 5.289 20 0 JKADLO