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)(F)c1cc(CN2CCCC3(CC[NH2+]CC3)C2)cc(C(F)(F)F)c1 ZINC000003956324 204022394 /nfs/dbraw/zinc/02/23/94/204022394.db2.gz QSADEYQVTBQHEC-UHFFFAOYSA-N 1 1 380.376 4.690 20 0 GJADMO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000057412069 205157318 /nfs/dbraw/zinc/15/73/18/205157318.db2.gz NNSYKKFCGHLVQZ-UHFFFAOYSA-N 1 1 380.879 4.578 20 0 GJADMO FC(F)c1nc2ccccc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628446 719101899 /nfs/dbraw/zinc/10/18/99/719101899.db2.gz MXRJRIDDQKQZPL-FXAWDEMLSA-N 1 1 394.469 4.668 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)cc(Cl)c2C)CC3)cs1 ZINC001164694526 719809837 /nfs/dbraw/zinc/80/98/37/719809837.db2.gz ZODSFQOVTVOEJO-UHFFFAOYSA-N 1 1 390.984 4.752 20 0 GJADMO Cc1cc(Cl)c(C)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841989 720696614 /nfs/dbraw/zinc/69/66/14/720696614.db2.gz KVFPLHSKCFPHRS-FQEVSTJZSA-N 1 1 399.966 4.612 20 0 GJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)cn1)CC2 ZINC001164837032 720727400 /nfs/dbraw/zinc/72/74/00/720727400.db2.gz CXOXFEXJBJBGSW-JOCHJYFZSA-N 1 1 393.575 4.639 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccccc31)[C@H]2C ZINC001164858561 720918299 /nfs/dbraw/zinc/91/82/99/720918299.db2.gz ODRPUOJWPMMZLT-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3cccc(Cl)c31)[C@@H]2C ZINC001164860627 720965994 /nfs/dbraw/zinc/96/59/94/720965994.db2.gz QOEOQMYOVZNPCA-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1ccc2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ccc2c1 ZINC001164792559 721489931 /nfs/dbraw/zinc/48/99/31/721489931.db2.gz KSEKRTTZQJGDRJ-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3ccsc3cn1)CC2 ZINC001164791588 721497324 /nfs/dbraw/zinc/49/73/24/721497324.db2.gz DXHJAIMNTJHHBE-UHFFFAOYSA-N 1 1 378.545 4.572 20 0 GJADMO Cc1cc(Cl)c(C)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795491 721497676 /nfs/dbraw/zinc/49/76/76/721497676.db2.gz IZNCEDWALZUEKN-UHFFFAOYSA-N 1 1 384.955 4.628 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165026569 721800243 /nfs/dbraw/zinc/80/02/43/721800243.db2.gz REVAQMQAOUEDEE-ZTFGCOKTSA-N 1 1 391.346 4.520 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4ccc(Cl)cc42)C3)c1 ZINC001164995814 722194919 /nfs/dbraw/zinc/19/49/19/722194919.db2.gz YENVVVISRPNQCW-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164994083 722207273 /nfs/dbraw/zinc/20/72/73/722207273.db2.gz FLEYWHOMFRINEQ-DEOSSOPVSA-N 1 1 388.490 4.528 20 0 GJADMO CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@H]21 ZINC001165006551 722245652 /nfs/dbraw/zinc/24/56/52/722245652.db2.gz ZPAZSQPMJLCIFG-LADGPHEKSA-N 1 1 390.575 4.514 20 0 GJADMO Fc1cc2ncnc(Cl)c2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164628042 719092494 /nfs/dbraw/zinc/09/24/94/719092494.db2.gz LWFLPLLNGRWJOH-OXQOHEQNSA-N 1 1 396.897 4.523 20 0 GJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731066 720366037 /nfs/dbraw/zinc/36/60/37/720366037.db2.gz YTINYZWCOSIUJQ-RTBURBONSA-N 1 1 399.325 4.790 20 0 GJADMO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2n1 ZINC001164724787 720474118 /nfs/dbraw/zinc/47/41/18/720474118.db2.gz HIHWZBCLCZVHNZ-QZTJIDSGSA-N 1 1 399.325 4.790 20 0 GJADMO Clc1ccc2ccc(Cl)c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2n1 ZINC001164724789 720474180 /nfs/dbraw/zinc/47/41/80/720474180.db2.gz HIHWZBCLCZVHNZ-ZWKOTPCHSA-N 1 1 399.325 4.790 20 0 GJADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc2c(Cl)cccc12 ZINC001164861960 720985230 /nfs/dbraw/zinc/98/52/30/720985230.db2.gz RYAYRRRBNOQBOT-INIZCTEOSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1cccc2cc(Cl)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164860352 721016384 /nfs/dbraw/zinc/01/63/84/721016384.db2.gz LMVVCTAMYQUJKS-MRXNPFEDSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)cc(Cl)c4C)CC3)C2)cc1 ZINC001164939354 721927505 /nfs/dbraw/zinc/92/75/05/721927505.db2.gz JRTIHAILFQGQID-UHFFFAOYSA-N 1 1 399.966 4.532 20 0 GJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H](c3ccncc3)C2)n1 ZINC001165040712 721928970 /nfs/dbraw/zinc/92/89/70/721928970.db2.gz KTBDBFSXUWNBRE-SFHVURJKSA-N 1 1 395.576 4.539 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN([C@@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995638 722199886 /nfs/dbraw/zinc/19/98/86/722199886.db2.gz WIFPWHSWPWGZAC-UXHICEINSA-N 1 1 377.866 4.583 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nncc4cc(Cl)ccc42)C3)c1 ZINC001164994872 722201206 /nfs/dbraw/zinc/20/12/06/722201206.db2.gz JAGAKPROJWDPHE-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO COc1ccc2cnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc2c1 ZINC001164994116 722204910 /nfs/dbraw/zinc/20/49/10/722204910.db2.gz GCMXSRDSERNZLI-XMMPIXPASA-N 1 1 391.490 4.627 20 0 GJADMO Cc1cc2ccccc2nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791511 721492617 /nfs/dbraw/zinc/49/26/17/721492617.db2.gz CXINDLSGTHORDZ-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@@H]3C2)nc1 ZINC001164900241 721499147 /nfs/dbraw/zinc/49/91/47/721499147.db2.gz NRNLAUMDAFGFDV-WBADGQHESA-N 1 1 383.580 4.660 20 0 GJADMO Cc1ccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165025527 721811427 /nfs/dbraw/zinc/81/14/27/721811427.db2.gz NGOFYFRPDZIIGM-TUACAJSNSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)c4ccccc43)C[C@H]21 ZINC001165027112 721813477 /nfs/dbraw/zinc/81/34/77/721813477.db2.gz SHKZCJYJOYDKMH-AMHTUMDSSA-N 1 1 390.506 4.506 20 0 GJADMO Cc1cc2ccccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028830 721818464 /nfs/dbraw/zinc/81/84/64/721818464.db2.gz XTTGATYZUOLMQO-ZTCOLXNVSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc2ccccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028830 721818468 /nfs/dbraw/zinc/81/84/68/721818468.db2.gz XTTGATYZUOLMQO-ZTCOLXNVSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc(F)cc4n3)C[C@@H]21 ZINC001165022185 721824597 /nfs/dbraw/zinc/82/45/97/721824597.db2.gz GNQPQPCJAKGELB-RZFNWQHOSA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccc(F)cc4cn3)C[C@@H]21 ZINC001165023079 721826021 /nfs/dbraw/zinc/82/60/21/721826021.db2.gz HKQSGLQRSKLSQC-OFAXGOBFSA-N 1 1 390.506 4.506 20 0 GJADMO Clc1ccc2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164953212 722015924 /nfs/dbraw/zinc/01/59/24/722015924.db2.gz TXLJFPVKVDCSOF-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CC(OCC4CC4)C3)CC2)n1 ZINC001164976942 722172213 /nfs/dbraw/zinc/17/22/13/722172213.db2.gz LHCDVIMPDBACOV-UHFFFAOYSA-N 1 1 389.971 4.506 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(-c4ccncc4)cn2)C3)c1 ZINC001164994085 722207014 /nfs/dbraw/zinc/20/70/14/722207014.db2.gz FLEYWHOMFRINEQ-XMMPIXPASA-N 1 1 388.490 4.528 20 0 GJADMO CC(C)CN1c2ccccc2[C@@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001165006552 722245547 /nfs/dbraw/zinc/24/55/47/722245547.db2.gz ZPAZSQPMJLCIFG-UPVQGACJSA-N 1 1 390.575 4.514 20 0 GJADMO FC(F)c1nc2ccccc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164628461 719102621 /nfs/dbraw/zinc/10/26/21/719102621.db2.gz MXRJRIDDQKQZPL-YLJYHZDGSA-N 1 1 394.469 4.668 20 0 GJADMO Cc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc2cc(Cl)ccc12 ZINC001164650239 719312839 /nfs/dbraw/zinc/31/28/39/719312839.db2.gz VNLRIGNXDZUHNP-UHFFFAOYSA-N 1 1 397.954 4.598 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(Cl)cc2Cl)CC3)cs1 ZINC001164691825 719803750 /nfs/dbraw/zinc/80/37/50/719803750.db2.gz KOZKZPMRKRQMFC-UHFFFAOYSA-N 1 1 397.375 4.788 20 0 GJADMO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729008 720380303 /nfs/dbraw/zinc/38/03/03/720380303.db2.gz UQUOOMFTOUVIRQ-NHCUHLMSSA-N 1 1 390.918 4.650 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3cccc(Cl)c31)[C@H]2C ZINC001164860623 720967187 /nfs/dbraw/zinc/96/71/87/720967187.db2.gz QOEOQMYOVZNPCA-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026240 721806285 /nfs/dbraw/zinc/80/62/85/721806285.db2.gz QEOUSGIDGPJZRT-ODGPQVTHSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)ccn3)C[C@H]21 ZINC001165022234 721806393 /nfs/dbraw/zinc/80/63/93/721806393.db2.gz IIWHHWUDNKNQIR-QLBJFCOMSA-N 1 1 398.554 4.881 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)ccnc3Cl)C[C@H]21 ZINC001165026788 721810261 /nfs/dbraw/zinc/81/02/61/721810261.db2.gz RBGCEXGBRXHNJW-QGPMSJSTSA-N 1 1 391.346 4.520 20 0 GJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(C)(C)C)cn4)CC3)C2)cc1 ZINC001164939851 721933802 /nfs/dbraw/zinc/93/38/02/721933802.db2.gz BNPGFJKVRVBQCT-UHFFFAOYSA-N 1 1 393.575 4.559 20 0 GJADMO c1ccc(C[N@H+]2CCc3nc(N4CCCC[C@@H]4c4cccnc4)ccc3C2)cc1 ZINC001165047586 721963023 /nfs/dbraw/zinc/96/30/23/721963023.db2.gz VLEIWOBLCSAZOV-XMMPIXPASA-N 1 1 384.527 4.767 20 0 GJADMO c1ccc(-c2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2)cc1 ZINC001164952096 722015230 /nfs/dbraw/zinc/01/52/30/722015230.db2.gz HBINHDZJSMUZEH-UHFFFAOYSA-N 1 1 384.527 4.636 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nccc4c(Cl)ccnc42)C3)c1 ZINC001164995241 722194438 /nfs/dbraw/zinc/19/44/38/722194438.db2.gz SVDPOZIFDBSENO-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)cc4[nH]ccc42)C3)c1 ZINC001164993287 722195920 /nfs/dbraw/zinc/19/59/20/722195920.db2.gz FFPKOEKVGYPMGT-NRFANRHFSA-N 1 1 384.886 4.600 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncc4c(Cl)cccc4n2)C3)c1 ZINC001164997284 722201708 /nfs/dbraw/zinc/20/17/08/722201708.db2.gz YLEBQBUSQYRQDV-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO CSc1ccnc(Cl)c1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995229 722203297 /nfs/dbraw/zinc/20/32/97/722203297.db2.gz LMIPFRQYBVRIGT-HXUWFJFHSA-N 1 1 391.943 4.841 20 0 GJADMO CSc1ccnc(Cl)c1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995229 722203300 /nfs/dbraw/zinc/20/33/00/722203300.db2.gz LMIPFRQYBVRIGT-HXUWFJFHSA-N 1 1 391.943 4.841 20 0 GJADMO C[C@H]1C[C@H](C)C[NH+](Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)C1 ZINC000007002863 204228635 /nfs/dbraw/zinc/22/86/35/204228635.db2.gz YDDNUJJJEIZRPH-STQMWFEESA-N 1 1 387.936 4.783 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4ccccc4cc2C)CC3)cs1 ZINC001164692241 719805993 /nfs/dbraw/zinc/80/59/93/719805993.db2.gz MCTMHYNZAKVMTP-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(Cl)ccnc2Cl)CC3)cs1 ZINC001164694513 719807981 /nfs/dbraw/zinc/80/79/81/719807981.db2.gz ZEWJLJUETGIAIW-UHFFFAOYSA-N 1 1 397.375 4.788 20 0 GJADMO Clc1ccc(-c2ccccc2)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729010 720379891 /nfs/dbraw/zinc/37/98/91/720379891.db2.gz UQUOOMFTOUVIRQ-RTWAWAEBSA-N 1 1 390.918 4.650 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3cc(Cl)ccc31)[C@H]2C ZINC001164860034 720947930 /nfs/dbraw/zinc/94/79/30/720947930.db2.gz PHDKUTSNLDOJGQ-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3cc(Cl)ccc31)[C@@H]2C ZINC001164860037 720948401 /nfs/dbraw/zinc/94/84/01/720948401.db2.gz PHDKUTSNLDOJGQ-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3cc1Cl)[C@H]2C ZINC001164858633 720949093 /nfs/dbraw/zinc/94/90/93/720949093.db2.gz JRTQFMHAFMZXAN-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3c(Cl)cccc31)[C@H]2C ZINC001164857960 720958408 /nfs/dbraw/zinc/95/84/08/720958408.db2.gz IMGRZAZXIIBYAZ-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858970 720973010 /nfs/dbraw/zinc/97/30/10/720973010.db2.gz JPPFKTBBUWPZRV-INIZCTEOSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1c(Cl)ccc2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc21 ZINC001164860527 720989502 /nfs/dbraw/zinc/98/95/02/720989502.db2.gz OMODHBCGLWBIOJ-MRXNPFEDSA-N 1 1 397.954 4.815 20 0 GJADMO CC(C)c1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc(C(C)(C)C)n1 ZINC001164857967 721010227 /nfs/dbraw/zinc/01/02/27/721010227.db2.gz DRRVNCRQZCFNTD-QGZVFWFLSA-N 1 1 398.599 4.515 20 0 GJADMO Cc1cccc2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165020405 721799349 /nfs/dbraw/zinc/79/93/49/721799349.db2.gz FPRODLLEPHFFBL-MDNUFGMLSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3Cl)C[C@H]21 ZINC001165020328 721800771 /nfs/dbraw/zinc/80/07/71/721800771.db2.gz FDVVGJKNWKCNLH-LSBZLQRGSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)ccnc3Cl)C[C@H]21 ZINC001165026791 721810251 /nfs/dbraw/zinc/81/02/51/721810251.db2.gz RBGCEXGBRXHNJW-YXJHDRRASA-N 1 1 391.346 4.520 20 0 GJADMO Cc1cc2ccccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028821 721818553 /nfs/dbraw/zinc/81/85/53/721818553.db2.gz XTTGATYZUOLMQO-OYDLWJJNSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc2ccccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028821 721818556 /nfs/dbraw/zinc/81/85/56/721818556.db2.gz XTTGATYZUOLMQO-OYDLWJJNSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165028917 721827994 /nfs/dbraw/zinc/82/79/94/721827994.db2.gz VXRVTFOCNWAZBX-ACIOBRDBSA-N 1 1 386.543 4.675 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cccc(Cl)n2)C3)c1 ZINC001164995943 722191989 /nfs/dbraw/zinc/19/19/89/722191989.db2.gz ZVJANCNOBUDIAT-LJQANCHMSA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cccc(Cl)n2)C3)c1 ZINC001164995943 722191992 /nfs/dbraw/zinc/19/19/92/722191992.db2.gz ZVJANCNOBUDIAT-LJQANCHMSA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nnc(Cl)c4ccccc42)C3)c1 ZINC001164994679 722194225 /nfs/dbraw/zinc/19/42/25/722194225.db2.gz OZAFTJHYVYHSFR-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4cc(F)ccc4n2)C3)c1 ZINC001164993616 722197825 /nfs/dbraw/zinc/19/78/25/722197825.db2.gz FOQRRBDCJYUSQT-QHCPKHFHSA-N 1 1 379.454 4.758 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc4nccc(Cl)c4cn2)C3)c1 ZINC001164995803 722199036 /nfs/dbraw/zinc/19/90/36/722199036.db2.gz YBXPNBITMDPLNU-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)Nc1ccc(F)cc1Cl ZINC000071982682 205301328 /nfs/dbraw/zinc/30/13/28/205301328.db2.gz AMCRCMJXBJITJB-OAQYLSRUSA-N 1 1 386.829 4.936 20 0 GJADMO CC(C)(C)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000064559267 534519818 /nfs/dbraw/zinc/51/98/18/534519818.db2.gz XVYXRGWGLYPKEK-UHFFFAOYSA-N 1 1 385.939 4.647 20 0 GJADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164653659 719313634 /nfs/dbraw/zinc/31/36/34/719313634.db2.gz ZILKDJZVWCDBTI-UHFFFAOYSA-N 1 1 397.954 4.598 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)cc(Cl)n2)CC3)cs1 ZINC001164694413 719803988 /nfs/dbraw/zinc/80/39/88/719803988.db2.gz YMBRDQKAZCYPIM-UHFFFAOYSA-N 1 1 397.375 4.788 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc4ccccc4cn2)CC3)cs1 ZINC001164691038 719805536 /nfs/dbraw/zinc/80/55/36/719805536.db2.gz DGOLMGXEELHUQB-UHFFFAOYSA-N 1 1 378.545 4.635 20 0 GJADMO Cc1cc2c(ccnc2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)o1 ZINC001164691541 719814751 /nfs/dbraw/zinc/81/47/51/719814751.db2.gz GRCCBBIJMFLIPL-UHFFFAOYSA-N 1 1 382.533 4.536 20 0 GJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccsc31)CC2 ZINC001164841197 720679624 /nfs/dbraw/zinc/67/96/24/720679624.db2.gz IDCFKPMKVCOJCK-HXUWFJFHSA-N 1 1 393.556 4.556 20 0 GJADMO Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c1 ZINC001165019618 721799889 /nfs/dbraw/zinc/79/98/89/721799889.db2.gz DJAPSIHQRAGMFC-FJIJXJHWSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cccc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165028927 721828080 /nfs/dbraw/zinc/82/80/80/721828080.db2.gz VXRVTFOCNWAZBX-WWNPGLIZSA-N 1 1 386.543 4.675 20 0 GJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)nc1 ZINC001165050853 721993619 /nfs/dbraw/zinc/99/36/19/721993619.db2.gz BQOLCSXALSTXRR-VQTJNVASSA-N 1 1 387.568 4.577 20 0 GJADMO Clc1ccc2c(ccnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952434 722015645 /nfs/dbraw/zinc/01/56/45/722015645.db2.gz KFJKTURKIIKDMY-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc4ccccc4nc2Cl)C3)c1 ZINC001164994564 722197241 /nfs/dbraw/zinc/19/72/41/722197241.db2.gz NYAQHCQLCGFBMO-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc4ccccc4nc2Cl)C3)c1 ZINC001164994564 722197244 /nfs/dbraw/zinc/19/72/44/722197244.db2.gz NYAQHCQLCGFBMO-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO COc1ccc2ccnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164996621 722205760 /nfs/dbraw/zinc/20/57/60/722205760.db2.gz UNNRDQGWAHPWDD-DEOSSOPVSA-N 1 1 391.490 4.627 20 0 GJADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164449766 718991830 /nfs/dbraw/zinc/99/18/30/718991830.db2.gz PCFCWKCVKIZDLM-UHFFFAOYSA-N 1 1 392.812 4.611 20 0 GJADMO Fc1ccc2c(Cl)nnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164626853 719106449 /nfs/dbraw/zinc/10/64/49/719106449.db2.gz JFEGJMTXIFGMJC-UZLBHIALSA-N 1 1 396.897 4.523 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ccc(C)cc42)CC3)cs1 ZINC001164693948 719808355 /nfs/dbraw/zinc/80/83/55/719808355.db2.gz SOVUUNVYBRQRJY-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3cccc(Cl)c3n1)[C@@H]2C ZINC001164859359 720951898 /nfs/dbraw/zinc/95/18/98/720951898.db2.gz MZYVGOCHNFCWOX-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1ccc(-c2csc3ncnc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)c23)cc1 ZINC001164771970 721286003 /nfs/dbraw/zinc/28/60/03/721286003.db2.gz BGWSOYOJOWAKFX-UHFFFAOYSA-N 1 1 390.556 4.589 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164793222 721489963 /nfs/dbraw/zinc/48/99/63/721489963.db2.gz QDVJBDDNTOXBNX-UHFFFAOYSA-N 1 1 391.346 4.664 20 0 GJADMO Clc1cccc2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164951786 722018113 /nfs/dbraw/zinc/01/81/13/722018113.db2.gz DSOVRZMTNAZAJB-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2ccc(Cl)nc2)C3)c1 ZINC001164989472 722190623 /nfs/dbraw/zinc/19/06/23/722190623.db2.gz OEOZLQXIBZIQAK-LJQANCHMSA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2ccc(Cl)nc2)C3)c1 ZINC001164989472 722190628 /nfs/dbraw/zinc/19/06/28/722190628.db2.gz OEOZLQXIBZIQAK-LJQANCHMSA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(Cl)cc(Cl)n2)C3)c1 ZINC001164994142 722191620 /nfs/dbraw/zinc/19/16/20/722191620.db2.gz KPQWLLMYNOREMS-IBGZPJMESA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccnc(-c4ccccc4)n2)C3)c1 ZINC001164994301 722194177 /nfs/dbraw/zinc/19/41/77/722194177.db2.gz MVCSZHKFHIYJNY-DEOSSOPVSA-N 1 1 388.490 4.528 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc4nccc(Cl)c4cn2)C3)c1 ZINC001164995805 722199314 /nfs/dbraw/zinc/19/93/14/722199314.db2.gz YBXPNBITMDPLNU-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncc4cc(Cl)ccc4n2)C3)c1 ZINC001164996657 722201802 /nfs/dbraw/zinc/20/18/02/722201802.db2.gz UWWZHKLHRYWUBJ-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(-c4ccccc4)ncn2)C3)c1 ZINC001164997207 722207157 /nfs/dbraw/zinc/20/71/57/722207157.db2.gz XBXOICJJIHKPIV-DEOSSOPVSA-N 1 1 388.490 4.528 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4ccc(F)cc4n2)C3)c1 ZINC001164996311 722208610 /nfs/dbraw/zinc/20/86/10/722208610.db2.gz TUPSYPYYHLSWHT-HSZRJFAPSA-N 1 1 379.454 4.758 20 0 GJADMO Cc1cc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2cc1C ZINC001164994809 722212413 /nfs/dbraw/zinc/21/24/13/722212413.db2.gz DORZRFSHXJZFDR-DEOSSOPVSA-N 1 1 390.506 4.631 20 0 GJADMO Fc1ccc2c(Cl)nnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164626848 719105762 /nfs/dbraw/zinc/10/57/62/719105762.db2.gz JFEGJMTXIFGMJC-OXJNMPFZSA-N 1 1 396.897 4.523 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4cc(C)ccc4n2)CC3)cs1 ZINC001164691468 719803376 /nfs/dbraw/zinc/80/33/76/719803376.db2.gz HQEODCPKKQSNQL-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc2cc(Cl)ccc12 ZINC001164863530 720976706 /nfs/dbraw/zinc/97/67/06/720976706.db2.gz WBCONEYAGARUNR-INIZCTEOSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1nc2scc(-c3cccs3)c2c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164769650 721299139 /nfs/dbraw/zinc/29/91/39/721299139.db2.gz KMIGHLLRRFQROK-UHFFFAOYSA-N 1 1 396.585 4.650 20 0 GJADMO Cc1cc(Cl)c(C)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792534 721496596 /nfs/dbraw/zinc/49/65/96/721496596.db2.gz QHSOOOJDQNAKCI-UHFFFAOYSA-N 1 1 384.955 4.628 20 0 GJADMO Cc1cccc2c1ccnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025980 721812921 /nfs/dbraw/zinc/81/29/21/721812921.db2.gz OSMHINOFNSAGGR-IEXUWNMDSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc(F)cc4n3)C[C@@H]21 ZINC001165022176 721824618 /nfs/dbraw/zinc/82/46/18/721824618.db2.gz GNQPQPCJAKGELB-AVCGJXAMSA-N 1 1 390.506 4.506 20 0 GJADMO Clc1cc2ccccc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952500 722015931 /nfs/dbraw/zinc/01/59/31/722015931.db2.gz MCFNEWBHISTJGO-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO Cc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)cc1Cl ZINC001164955434 722020408 /nfs/dbraw/zinc/02/04/08/722020408.db2.gz GPPHDSWRTGLWGR-UHFFFAOYSA-N 1 1 391.346 4.584 20 0 GJADMO Cc1c(Cl)cnc(Cl)c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955928 722020494 /nfs/dbraw/zinc/02/04/94/722020494.db2.gz UAMHHRGAQPGVFD-UHFFFAOYSA-N 1 1 391.346 4.584 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4cc(F)ccc4n2)C3)c1 ZINC001164993615 722197958 /nfs/dbraw/zinc/19/79/58/722197958.db2.gz FOQRRBDCJYUSQT-HSZRJFAPSA-N 1 1 379.454 4.758 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN([C@@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995641 722199698 /nfs/dbraw/zinc/19/96/98/722199698.db2.gz WIFPWHSWPWGZAC-WOJBJXKFSA-N 1 1 377.866 4.583 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncc(F)c4ccccc42)C3)c1 ZINC001164994475 722200683 /nfs/dbraw/zinc/20/06/83/722200683.db2.gz HULQRYJTHUGTGW-HSZRJFAPSA-N 1 1 379.454 4.758 20 0 GJADMO COc1ccc2cnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc2c1 ZINC001164994114 722205428 /nfs/dbraw/zinc/20/54/28/722205428.db2.gz GCMXSRDSERNZLI-DEOSSOPVSA-N 1 1 391.490 4.627 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(-c4cccs4)ncn2)C3)c1 ZINC001164996245 722209250 /nfs/dbraw/zinc/20/92/50/722209250.db2.gz SCVCNURUMJPLDX-JOCHJYFZSA-N 1 1 394.519 4.589 20 0 GJADMO Cc1cc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2cc1C ZINC001164994811 722212132 /nfs/dbraw/zinc/21/21/32/722212132.db2.gz DORZRFSHXJZFDR-XMMPIXPASA-N 1 1 390.506 4.631 20 0 GJADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164450621 718992606 /nfs/dbraw/zinc/99/26/06/718992606.db2.gz ZDUGBERSPCAXBE-UHFFFAOYSA-N 1 1 380.851 4.534 20 0 GJADMO Fc1cc2ncnc(Cl)c2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164628039 719091911 /nfs/dbraw/zinc/09/19/11/719091911.db2.gz LWFLPLLNGRWJOH-JXFKEZNVSA-N 1 1 396.897 4.523 20 0 GJADMO FC(F)c1nc2ccccc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628459 719102535 /nfs/dbraw/zinc/10/25/35/719102535.db2.gz MXRJRIDDQKQZPL-XLIONFOSSA-N 1 1 394.469 4.668 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3sccc31)[C@@H]2C ZINC001164862428 720947859 /nfs/dbraw/zinc/94/78/59/720947859.db2.gz VMSUPJBWMCPNCL-CYBMUJFWSA-N 1 1 389.956 4.568 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3cc1Cl)[C@@H]2C ZINC001164858636 720948506 /nfs/dbraw/zinc/94/85/06/720948506.db2.gz JRTQFMHAFMZXAN-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc3c(Cl)cccc31)[C@@H]2C ZINC001164857961 720957474 /nfs/dbraw/zinc/95/74/74/720957474.db2.gz IMGRZAZXIIBYAZ-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1ccc2cc(Cl)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164864130 720979568 /nfs/dbraw/zinc/97/95/68/720979568.db2.gz XQUKOPXWKKDUKX-MRXNPFEDSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1cccc2cc(Cl)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164860351 721016813 /nfs/dbraw/zinc/01/68/13/721016813.db2.gz LMVVCTAMYQUJKS-INIZCTEOSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1cncc(COC[C@]23CCC[C@@H]2C[N@H+](C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804052 721601904 /nfs/dbraw/zinc/60/19/04/721601904.db2.gz WOCCOPVRFYQYFN-NFBKMPQASA-N 1 1 399.966 4.992 20 0 GJADMO Cc1cccc2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165020402 721798780 /nfs/dbraw/zinc/79/87/80/721798780.db2.gz FPRODLLEPHFFBL-ACIOBRDBSA-N 1 1 386.543 4.675 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164979715 722166290 /nfs/dbraw/zinc/16/62/90/722166290.db2.gz VTQAHXXMRLUPNE-KNQAVFIVSA-N 1 1 392.971 4.800 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4cc(Cl)cnc4n2)C3)c1 ZINC001164993258 722198366 /nfs/dbraw/zinc/19/83/66/722198366.db2.gz DOOLUEVUHSNJSK-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc4[nH]ccc4cc2Cl)C3)c1 ZINC001164996324 722202860 /nfs/dbraw/zinc/20/28/60/722202860.db2.gz TXUUTHRYHPLZLJ-OAQYLSRUSA-N 1 1 384.886 4.552 20 0 GJADMO CSc1cc(Cl)cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995995 722206636 /nfs/dbraw/zinc/20/66/36/722206636.db2.gz RFUYIWXNDVQJQB-FQEVSTJZSA-N 1 1 391.943 4.841 20 0 GJADMO COc1cccc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000021892159 210399092 /nfs/dbraw/zinc/39/90/92/210399092.db2.gz WCJBWAFONLLKEF-UHFFFAOYSA-N 1 1 381.520 4.510 20 0 GJADMO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725843 720379672 /nfs/dbraw/zinc/37/96/72/720379672.db2.gz NTQPYZBWZIHMBM-RTWAWAEBSA-N 1 1 390.918 4.650 20 0 GJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccsc31)CC2 ZINC001164841193 720679658 /nfs/dbraw/zinc/67/96/58/720679658.db2.gz IDCFKPMKVCOJCK-FQEVSTJZSA-N 1 1 393.556 4.556 20 0 GJADMO Cc1nc(Cl)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164844837 720694222 /nfs/dbraw/zinc/69/42/22/720694222.db2.gz VJZGXZAMGKBLGR-FQEVSTJZSA-N 1 1 399.966 4.612 20 0 GJADMO Cc1cc(Cl)c(C)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842009 720696537 /nfs/dbraw/zinc/69/65/37/720696537.db2.gz KVFPLHSKCFPHRS-HXUWFJFHSA-N 1 1 399.966 4.612 20 0 GJADMO CC(C)c1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc(C(C)(C)C)n1 ZINC001164857966 721011142 /nfs/dbraw/zinc/01/11/42/721011142.db2.gz DRRVNCRQZCFNTD-KRWDZBQOSA-N 1 1 398.599 4.515 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164792244 721494838 /nfs/dbraw/zinc/49/48/38/721494838.db2.gz LKPYOURRWIPPKO-UHFFFAOYSA-N 1 1 391.346 4.664 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)ccn3)C[C@H]21 ZINC001165022221 721806554 /nfs/dbraw/zinc/80/65/54/721806554.db2.gz IIWHHWUDNKNQIR-ICDZXHCJSA-N 1 1 398.554 4.881 20 0 GJADMO Cc1cc2ccccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028816 721818391 /nfs/dbraw/zinc/81/83/91/721818391.db2.gz XTTGATYZUOLMQO-NKKJXINNSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc2ccccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028816 721818394 /nfs/dbraw/zinc/81/83/94/721818394.db2.gz XTTGATYZUOLMQO-NKKJXINNSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc2ccccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028825 721818675 /nfs/dbraw/zinc/81/86/75/721818675.db2.gz XTTGATYZUOLMQO-TUACAJSNSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc2ccccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028825 721818676 /nfs/dbraw/zinc/81/86/76/721818676.db2.gz XTTGATYZUOLMQO-TUACAJSNSA-N 1 1 386.543 4.675 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4ccc(Cl)cc42)C3)c1 ZINC001164995812 722195278 /nfs/dbraw/zinc/19/52/78/722195278.db2.gz YENVVVISRPNQCW-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cnc4c(Cl)cccc4n2)C3)c1 ZINC001164995656 722197324 /nfs/dbraw/zinc/19/73/24/722197324.db2.gz WQEPGJTUNSPXGC-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc4ccc(Cl)nc4cn2)C3)c1 ZINC001164995919 722200896 /nfs/dbraw/zinc/20/08/96/722200896.db2.gz PWSGZZPEZGXOAR-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO CCC[N@@H+](CCC(=O)Nc1cc(C)on1)[C@H](C)c1ccccc1Br ZINC000071954053 205299582 /nfs/dbraw/zinc/29/95/82/205299582.db2.gz JZWIZJVPMRCCCW-CQSZACIVSA-N 1 1 394.313 4.547 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4cccc(C)c4n2)CC3)cs1 ZINC001164691435 719803199 /nfs/dbraw/zinc/80/31/99/719803199.db2.gz GSOPULBOMHLAEZ-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cc(F)ccc4n3)C[C@H]21 ZINC001165023601 721809560 /nfs/dbraw/zinc/80/95/60/721809560.db2.gz IHHQRQRKPOHTFG-JMUQELJHSA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)ccnc3Cl)C[C@@H]21 ZINC001165026790 721810379 /nfs/dbraw/zinc/81/03/79/721810379.db2.gz RBGCEXGBRXHNJW-UWWQBHOKSA-N 1 1 391.346 4.520 20 0 GJADMO Cc1cccc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165028923 721828270 /nfs/dbraw/zinc/82/82/70/721828270.db2.gz VXRVTFOCNWAZBX-PMVMPFDFSA-N 1 1 386.543 4.675 20 0 GJADMO F[C@@H](c1ccnc(Cl)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165045105 721940117 /nfs/dbraw/zinc/94/01/17/721940117.db2.gz SYBAZNBBUJTTKL-LJQANCHMSA-N 1 1 391.277 4.727 20 0 GJADMO Cc1ccc(Cl)c(O[C@H]2CCCN(c3ccc(C[N@H+](C)C4CC4)cn3)C2)c1 ZINC001165049894 721979857 /nfs/dbraw/zinc/97/98/57/721979857.db2.gz NTEFNNWWAQUIMT-IBGZPJMESA-N 1 1 385.939 4.685 20 0 GJADMO Clc1ccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164955458 722019643 /nfs/dbraw/zinc/01/96/43/722019643.db2.gz HOYINCXXSMKQRL-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nccc4ccc(F)cc42)C3)c1 ZINC001164995905 722201080 /nfs/dbraw/zinc/20/10/80/722201080.db2.gz PSDJKTXDMBKOBC-QHCPKHFHSA-N 1 1 379.454 4.758 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4c(Cl)ccnc4n2)C3)c1 ZINC001164997306 722202694 /nfs/dbraw/zinc/20/26/94/722202694.db2.gz YYZHNVZNSUKGFH-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO COc1ccc2ccnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164996624 722206248 /nfs/dbraw/zinc/20/62/48/722206248.db2.gz UNNRDQGWAHPWDD-XMMPIXPASA-N 1 1 391.490 4.627 20 0 GJADMO CCc1nc2sccc2c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994365 722211341 /nfs/dbraw/zinc/21/13/41/722211341.db2.gz BEJVMKUDUADEDQ-JOCHJYFZSA-N 1 1 396.535 4.638 20 0 GJADMO Fc1cc2ncnc(Cl)c2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164628041 719092262 /nfs/dbraw/zinc/09/22/62/719092262.db2.gz LWFLPLLNGRWJOH-OXJNMPFZSA-N 1 1 396.897 4.523 20 0 GJADMO Fc1ccc2c(Cl)ncnc2c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624353 719112638 /nfs/dbraw/zinc/11/26/38/719112638.db2.gz FLFMWQQZJFRHCC-QFBILLFUSA-N 1 1 396.897 4.523 20 0 GJADMO Fc1ccc2c(Cl)ncnc2c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624351 719113086 /nfs/dbraw/zinc/11/30/86/719113086.db2.gz FLFMWQQZJFRHCC-LPHOPBHVSA-N 1 1 396.897 4.523 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc(C)c2C)CC3)cs1 ZINC001164691990 719809585 /nfs/dbraw/zinc/80/95/85/719809585.db2.gz DQQYCOUONASHPR-UHFFFAOYSA-N 1 1 390.984 4.752 20 0 GJADMO CSc1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(C)c1 ZINC001164691590 719812449 /nfs/dbraw/zinc/81/24/49/719812449.db2.gz ICXBNNNWEYLJQA-UHFFFAOYSA-N 1 1 388.606 4.512 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(Cl)cccc3n1)[C@@H]2C ZINC001164863430 720957605 /nfs/dbraw/zinc/95/76/05/720957605.db2.gz ZYASZMYUUVOEKO-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164795584 721504774 /nfs/dbraw/zinc/50/47/74/721504774.db2.gz LZJZACOIYDBHQP-UHFFFAOYSA-N 1 1 398.982 4.742 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164795584 721504777 /nfs/dbraw/zinc/50/47/77/721504777.db2.gz LZJZACOIYDBHQP-UHFFFAOYSA-N 1 1 398.982 4.742 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165026565 721800362 /nfs/dbraw/zinc/80/03/62/721800362.db2.gz REVAQMQAOUEDEE-FHLIZLRMSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)ccn3)C[C@@H]21 ZINC001165022233 721806449 /nfs/dbraw/zinc/80/64/49/721806449.db2.gz IIWHHWUDNKNQIR-PZUNEJSGSA-N 1 1 398.554 4.881 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165028221 721831651 /nfs/dbraw/zinc/83/16/51/721831651.db2.gz UWIFGYUECXHGNX-JRGCBEDISA-N 1 1 398.982 4.598 20 0 GJADMO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165028221 721831652 /nfs/dbraw/zinc/83/16/52/721831652.db2.gz UWIFGYUECXHGNX-JRGCBEDISA-N 1 1 398.982 4.598 20 0 GJADMO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165028221 721831654 /nfs/dbraw/zinc/83/16/54/721831654.db2.gz UWIFGYUECXHGNX-JRGCBEDISA-N 1 1 398.982 4.598 20 0 GJADMO Clc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2ccccc2n1 ZINC001164955580 722012036 /nfs/dbraw/zinc/01/20/36/722012036.db2.gz WWJGHBYDJUAYMB-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2ccnc(Cl)c2)C3)c1 ZINC001164995203 722191611 /nfs/dbraw/zinc/19/16/11/722191611.db2.gz SLWQYEIAFJVCNX-IBGZPJMESA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2ccnc(Cl)c2)C3)c1 ZINC001164995203 722191612 /nfs/dbraw/zinc/19/16/12/722191612.db2.gz SLWQYEIAFJVCNX-IBGZPJMESA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN([C@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995639 722199585 /nfs/dbraw/zinc/19/95/85/722199585.db2.gz WIFPWHSWPWGZAC-VQTJNVASSA-N 1 1 377.866 4.583 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4cccc(F)c4n2)C3)c1 ZINC001164995974 722205982 /nfs/dbraw/zinc/20/59/82/722205982.db2.gz QVXMAFSXXRYMLQ-QHCPKHFHSA-N 1 1 379.454 4.758 20 0 GJADMO CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@@H]21 ZINC001165006554 722245734 /nfs/dbraw/zinc/24/57/34/722245734.db2.gz ZPAZSQPMJLCIFG-VWNXMTODSA-N 1 1 390.575 4.514 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ccccc42)CC3)cs1 ZINC001164694333 719804428 /nfs/dbraw/zinc/80/44/28/719804428.db2.gz XDXRNVLIDNGQOG-UHFFFAOYSA-N 1 1 378.545 4.635 20 0 GJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3ccsc3cn1)CC2 ZINC001164841232 720699431 /nfs/dbraw/zinc/69/94/31/720699431.db2.gz INWMZZRFOQAOMK-FQEVSTJZSA-N 1 1 393.556 4.556 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3cccc(Cl)c3n1)[C@H]2C ZINC001164859356 720951233 /nfs/dbraw/zinc/95/12/33/720951233.db2.gz MZYVGOCHNFCWOX-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1sc2ncnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1-c1ccccc1 ZINC001164767900 721298397 /nfs/dbraw/zinc/29/83/97/721298397.db2.gz BFMWKPGKEWTRHQ-UHFFFAOYSA-N 1 1 390.556 4.589 20 0 GJADMO Cc1cccc2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc12 ZINC001164793400 721488977 /nfs/dbraw/zinc/48/89/77/721488977.db2.gz RPEVJBCGIPMHNN-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc2ccccc12 ZINC001164910916 721753600 /nfs/dbraw/zinc/75/36/00/721753600.db2.gz UHOMAAGPYWECKU-UHFFFAOYSA-N 1 1 398.510 4.726 20 0 GJADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc2ccccc12 ZINC001164910916 721753602 /nfs/dbraw/zinc/75/36/02/721753602.db2.gz UHOMAAGPYWECKU-UHFFFAOYSA-N 1 1 398.510 4.726 20 0 GJADMO Cc1cccc2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165020411 721799449 /nfs/dbraw/zinc/79/94/49/721799449.db2.gz FPRODLLEPHFFBL-WWNPGLIZSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165026248 721806016 /nfs/dbraw/zinc/80/60/16/721806016.db2.gz QEOUSGIDGPJZRT-SSPYTLHUSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026233 721806163 /nfs/dbraw/zinc/80/61/63/721806163.db2.gz QEOUSGIDGPJZRT-FJIJXJHWSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc12 ZINC001165025177 721810640 /nfs/dbraw/zinc/81/06/40/721810640.db2.gz LPYLWBPTFVDJCA-NGYIFUPDSA-N 1 1 386.543 4.675 20 0 GJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)nc1 ZINC001165050850 721993521 /nfs/dbraw/zinc/99/35/21/721993521.db2.gz BQOLCSXALSTXRR-UXHICEINSA-N 1 1 387.568 4.577 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cccc(Cl)n2)C3)c1 ZINC001164995942 722191632 /nfs/dbraw/zinc/19/16/32/722191632.db2.gz ZVJANCNOBUDIAT-IBGZPJMESA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cccc(Cl)n2)C3)c1 ZINC001164995942 722191633 /nfs/dbraw/zinc/19/16/33/722191633.db2.gz ZVJANCNOBUDIAT-IBGZPJMESA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nnc(Cl)c4ccccc42)C3)c1 ZINC001164994676 722194574 /nfs/dbraw/zinc/19/45/74/722194574.db2.gz OZAFTJHYVYHSFR-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cnc4cccc(Cl)c4n2)C3)c1 ZINC001164994288 722195668 /nfs/dbraw/zinc/19/56/68/722195668.db2.gz MOUWANBRSGAZBE-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(Cl)nc4ncccc24)C3)c1 ZINC001164994228 722198613 /nfs/dbraw/zinc/19/86/13/722198613.db2.gz LWGOBOFMZTUQHN-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO CCc1cc2c(ncnc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)s1 ZINC001164993674 722199198 /nfs/dbraw/zinc/19/91/98/722199198.db2.gz HFWTYMQAHFBSLS-QFIPXVFZSA-N 1 1 396.535 4.638 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncc4c(Cl)cccc4n2)C3)c1 ZINC001164997283 722201729 /nfs/dbraw/zinc/20/17/29/722201729.db2.gz YLEBQBUSQYRQDV-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(-c4ccccc4)ncn2)C3)c1 ZINC001164997208 722207047 /nfs/dbraw/zinc/20/70/47/722207047.db2.gz XBXOICJJIHKPIV-XMMPIXPASA-N 1 1 388.490 4.528 20 0 GJADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC23CCCC3)n1 ZINC001164399953 718845504 /nfs/dbraw/zinc/84/55/04/718845504.db2.gz LJIPZPKVMMICGM-UHFFFAOYSA-N 1 1 378.545 4.943 20 0 GJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC(F)C3)CC2)n1 ZINC001164415530 718884404 /nfs/dbraw/zinc/88/44/04/718884404.db2.gz JGINZEFHKCTIDD-UHFFFAOYSA-N 1 1 390.572 4.868 20 0 GJADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)C2 ZINC001164447573 718992552 /nfs/dbraw/zinc/99/25/52/718992552.db2.gz CKSQYOYTWXWPDV-UHFFFAOYSA-N 1 1 388.849 4.780 20 0 GJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731064 720365861 /nfs/dbraw/zinc/36/58/61/720365861.db2.gz YTINYZWCOSIUJQ-OALUTQOASA-N 1 1 399.325 4.790 20 0 GJADMO Clc1cc(-c2ccccc2)cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725838 720380283 /nfs/dbraw/zinc/38/02/83/720380283.db2.gz NTQPYZBWZIHMBM-LEWJYISDSA-N 1 1 390.918 4.650 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccsc31)[C@H]2C ZINC001164858597 720948156 /nfs/dbraw/zinc/94/81/56/720948156.db2.gz JKXPYNXMMDLJBN-ZDUSSCGKSA-N 1 1 389.956 4.568 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccsc31)[C@@H]2C ZINC001164858595 720949611 /nfs/dbraw/zinc/94/96/11/720949611.db2.gz JKXPYNXMMDLJBN-CYBMUJFWSA-N 1 1 389.956 4.568 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccc(Cl)cc3n1)[C@H]2C ZINC001164858045 720976636 /nfs/dbraw/zinc/97/66/36/720976636.db2.gz GOXTXJBXOVJWOJ-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO Clc1nc(Cl)c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c(Cl)c1Cl ZINC001164774056 721284780 /nfs/dbraw/zinc/28/47/80/721284780.db2.gz WFLQMDVWRRBNKV-UHFFFAOYSA-N 1 1 381.134 4.617 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001164778714 721315912 /nfs/dbraw/zinc/31/59/12/721315912.db2.gz QPPJECRKEFVSOZ-UHFFFAOYSA-N 1 1 396.897 4.667 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164791142 721490000 /nfs/dbraw/zinc/49/00/00/721490000.db2.gz BHHPVICMNZHDSK-UHFFFAOYSA-N 1 1 391.346 4.664 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ccc1Cl)CC2 ZINC001164792259 721493461 /nfs/dbraw/zinc/49/34/61/721493461.db2.gz LVMUCCKGXJPSFB-UHFFFAOYSA-N 1 1 391.346 4.664 20 0 GJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)nc1 ZINC001164900239 721499521 /nfs/dbraw/zinc/49/95/21/721499521.db2.gz NRNLAUMDAFGFDV-GPJHCHHRSA-N 1 1 383.580 4.660 20 0 GJADMO Cc1cc(Cl)c(C)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164909607 721757297 /nfs/dbraw/zinc/75/72/97/721757297.db2.gz JQWLQIRZGPTUPC-UHFFFAOYSA-N 1 1 396.922 4.535 20 0 GJADMO Cc1cc(Cl)c(C)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164909607 721757303 /nfs/dbraw/zinc/75/73/03/721757303.db2.gz JQWLQIRZGPTUPC-UHFFFAOYSA-N 1 1 396.922 4.535 20 0 GJADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc12 ZINC001165025175 721810868 /nfs/dbraw/zinc/81/08/68/721810868.db2.gz LPYLWBPTFVDJCA-BPUDTRNYSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1ccc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165025526 721811591 /nfs/dbraw/zinc/81/15/91/721811591.db2.gz NGOFYFRPDZIIGM-OYDLWJJNSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc(F)cc4n3)C[C@H]21 ZINC001165022180 721824799 /nfs/dbraw/zinc/82/47/99/721824799.db2.gz GNQPQPCJAKGELB-JMUQELJHSA-N 1 1 390.506 4.506 20 0 GJADMO Clc1cccc2c1ccnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952101 722016944 /nfs/dbraw/zinc/01/69/44/722016944.db2.gz HHIHGZYOPOVXDN-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO COc1ccc2c(ccnc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993260 722195767 /nfs/dbraw/zinc/19/57/67/722195767.db2.gz DQADGXBZJZCSFC-XMMPIXPASA-N 1 1 391.490 4.627 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc4[nH]ccc4cc2Cl)C3)c1 ZINC001164996323 722203086 /nfs/dbraw/zinc/20/30/86/722203086.db2.gz TXUUTHRYHPLZLJ-NRFANRHFSA-N 1 1 384.886 4.552 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(-c4cccs4)nn2)C3)c1 ZINC001164997333 722203440 /nfs/dbraw/zinc/20/34/40/722203440.db2.gz ZPIXHSDTFWCPNY-JOCHJYFZSA-N 1 1 394.519 4.589 20 0 GJADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC(F)C4)CC3)c2c1C ZINC001164416415 718884113 /nfs/dbraw/zinc/88/41/13/718884113.db2.gz WHRAYKIWCGUMMM-UHFFFAOYSA-N 1 1 388.556 4.622 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645841 719291088 /nfs/dbraw/zinc/29/10/88/719291088.db2.gz MCOZMZCZGOEVDR-IAOVAPTHSA-N 1 1 389.952 4.766 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645841 719291090 /nfs/dbraw/zinc/29/10/90/719291090.db2.gz MCOZMZCZGOEVDR-IAOVAPTHSA-N 1 1 389.952 4.766 20 0 GJADMO Cc1cccc2cc(Cl)nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c12 ZINC001164654568 719317543 /nfs/dbraw/zinc/31/75/43/719317543.db2.gz RZUBCQOLJVZVHJ-UHFFFAOYSA-N 1 1 397.954 4.598 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4cc(F)ccc4n2)CC3)cs1 ZINC001164694392 719807883 /nfs/dbraw/zinc/80/78/83/719807883.db2.gz WVQQPEOZGQDWAO-UHFFFAOYSA-N 1 1 396.535 4.774 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(F)c4ccccc42)CC3)cs1 ZINC001164692787 719809097 /nfs/dbraw/zinc/80/90/97/719809097.db2.gz MNPJNQNFUXOFOJ-UHFFFAOYSA-N 1 1 396.535 4.774 20 0 GJADMO Clc1ccc(-c2ccccc2)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729006 720380998 /nfs/dbraw/zinc/38/09/98/720380998.db2.gz UQUOOMFTOUVIRQ-LEWJYISDSA-N 1 1 390.918 4.650 20 0 GJADMO Cc1ccc2cc(Cl)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164864129 720979403 /nfs/dbraw/zinc/97/94/03/720979403.db2.gz XQUKOPXWKKDUKX-INIZCTEOSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858007 720983244 /nfs/dbraw/zinc/98/32/44/720983244.db2.gz GDTMRCFRKFYBOY-MRXNPFEDSA-N 1 1 397.954 4.815 20 0 GJADMO CC(C)c1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(C(C)(C)C)n1 ZINC001164856747 721009678 /nfs/dbraw/zinc/00/96/78/721009678.db2.gz BRNVGROMYCXLAY-KRWDZBQOSA-N 1 1 398.599 4.515 20 0 GJADMO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165026225 721806108 /nfs/dbraw/zinc/80/61/08/721806108.db2.gz QEOUSGIDGPJZRT-BGWNEDDSSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cccc2c1ccnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165025983 721813136 /nfs/dbraw/zinc/81/31/36/721813136.db2.gz OSMHINOFNSAGGR-WUMKDDEVSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc(F)c4n3)C[C@H]21 ZINC001165029024 721820141 /nfs/dbraw/zinc/82/01/41/721820141.db2.gz YQOMFOLMWXTOCD-CZTZKLFOSA-N 1 1 390.506 4.506 20 0 GJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)c(Cl)cc4C)CC3)C2)cc1 ZINC001164939604 721927994 /nfs/dbraw/zinc/92/79/94/721927994.db2.gz MZCXZNNGETWXRA-UHFFFAOYSA-N 1 1 399.966 4.532 20 0 GJADMO Cc1cccc2c(C)cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164954338 722013532 /nfs/dbraw/zinc/01/35/32/722013532.db2.gz LGPWBDUPZKBVJF-UHFFFAOYSA-N 1 1 386.543 4.739 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2ccnc(Cl)c2)C3)c1 ZINC001164995204 722191617 /nfs/dbraw/zinc/19/16/17/722191617.db2.gz SLWQYEIAFJVCNX-LJQANCHMSA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2ccnc(Cl)c2)C3)c1 ZINC001164995204 722191618 /nfs/dbraw/zinc/19/16/18/722191618.db2.gz SLWQYEIAFJVCNX-LJQANCHMSA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cnc4c(Cl)cccc4n2)C3)c1 ZINC001164995657 722197123 /nfs/dbraw/zinc/19/71/23/722197123.db2.gz WQEPGJTUNSPXGC-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cnc4cc(Cl)ccc4n2)C3)c1 ZINC001164995323 722197411 /nfs/dbraw/zinc/19/74/11/722197411.db2.gz UKKPFQLOKRUCQY-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncc4ccc(Cl)cc4n2)C3)c1 ZINC001164995392 722202702 /nfs/dbraw/zinc/20/27/02/722202702.db2.gz NGOJQOHDTVYRFL-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(-c4cccs4)nn2)C3)c1 ZINC001164997334 722203414 /nfs/dbraw/zinc/20/34/14/722203414.db2.gz ZPIXHSDTFWCPNY-QFIPXVFZSA-N 1 1 394.519 4.589 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cnc(-c4ccccc4)cn2)C3)c1 ZINC001164995173 722207734 /nfs/dbraw/zinc/20/77/34/722207734.db2.gz LJWHMASNOYMHKY-DEOSSOPVSA-N 1 1 388.490 4.528 20 0 GJADMO O=C(c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000072183859 136167577 /nfs/dbraw/zinc/16/75/77/136167577.db2.gz SXSAPTLWOQITQO-UHFFFAOYSA-N 1 1 386.282 4.504 20 0 GJADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)C2 ZINC001164450006 718992571 /nfs/dbraw/zinc/99/25/71/718992571.db2.gz PTZCIEVODWATBX-UHFFFAOYSA-N 1 1 380.870 4.853 20 0 GJADMO Fc1ccc2c(Cl)nnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164626846 719105889 /nfs/dbraw/zinc/10/58/89/719105889.db2.gz JFEGJMTXIFGMJC-JXFKEZNVSA-N 1 1 396.897 4.523 20 0 GJADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)cc4ccccc42)CC3)cs1 ZINC001164691556 719811487 /nfs/dbraw/zinc/81/14/87/719811487.db2.gz HBLLILBMVKQNPR-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)cc4ccccc42)CC3)cs1 ZINC001164691556 719811492 /nfs/dbraw/zinc/81/14/92/719811492.db2.gz HBLLILBMVKQNPR-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO Clc1ccc(Cl)c2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ccc12 ZINC001164723669 720474319 /nfs/dbraw/zinc/47/43/19/720474319.db2.gz DBRZKVBMBORQDD-OALUTQOASA-N 1 1 399.325 4.790 20 0 GJADMO Cc1cccc2c1ccnc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792905 721496035 /nfs/dbraw/zinc/49/60/35/721496035.db2.gz VFDDZLZIPPTYAI-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)cc(Cl)n3)C[C@@H]21 ZINC001165026567 721800284 /nfs/dbraw/zinc/80/02/84/721800284.db2.gz REVAQMQAOUEDEE-JCGIZDLHSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)c4ccccc43)C[C@H]21 ZINC001165027115 721813532 /nfs/dbraw/zinc/81/35/32/721813532.db2.gz SHKZCJYJOYDKMH-ODOSVJCGSA-N 1 1 390.506 4.506 20 0 GJADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)nc1 ZINC001165050847 721993577 /nfs/dbraw/zinc/99/35/77/721993577.db2.gz BQOLCSXALSTXRR-PMACEKPBSA-N 1 1 387.568 4.577 20 0 GJADMO Cn1nc(-c2ccccc2)c2c1C[C@H]1C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001164952296 722005990 /nfs/dbraw/zinc/00/59/90/722005990.db2.gz MHTPZHBNGRDYNH-FUHWJXTLSA-N 1 1 392.934 4.642 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164979717 722166111 /nfs/dbraw/zinc/16/61/11/722166111.db2.gz VTQAHXXMRLUPNE-UGKGYDQZSA-N 1 1 392.971 4.800 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nccc4cc(Cl)ncc42)C3)c1 ZINC001164992842 722197066 /nfs/dbraw/zinc/19/70/66/722197066.db2.gz BDUVLVVTPNZBFQ-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO CSc1cc(Cl)ncc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994652 722197769 /nfs/dbraw/zinc/19/77/69/722197769.db2.gz OUEBSDKWUQIEKU-HXUWFJFHSA-N 1 1 391.943 4.841 20 0 GJADMO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000029164569 207358612 /nfs/dbraw/zinc/35/86/12/207358612.db2.gz LRAMTDNWLOLGBQ-UHFFFAOYSA-N 1 1 380.879 4.578 20 0 GJADMO C(c1nc2sc3c(c2c(N2CCC24CCCC4)n1)CCC3)[NH+]1CCCCC1 ZINC001164400144 718845586 /nfs/dbraw/zinc/84/55/86/718845586.db2.gz QUWPSZSRELMOKZ-UHFFFAOYSA-N 1 1 382.577 4.689 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN([C@@H](F)c2ccnc(Cl)c2)CC3)cs1 ZINC001164693739 719808404 /nfs/dbraw/zinc/80/84/04/719808404.db2.gz QYCCNHSXURDDGP-GOSISDBHSA-N 1 1 394.947 4.599 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN([C@H](F)c2ccnc(Cl)c2)CC3)cs1 ZINC001164693741 719808512 /nfs/dbraw/zinc/80/85/12/719808512.db2.gz QYCCNHSXURDDGP-SFHVURJKSA-N 1 1 394.947 4.599 20 0 GJADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3ccsc3cn1)CC2 ZINC001164841235 720699296 /nfs/dbraw/zinc/69/92/96/720699296.db2.gz INWMZZRFOQAOMK-HXUWFJFHSA-N 1 1 393.556 4.556 20 0 GJADMO Cc1ccc2nc(Cl)cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164856985 720945377 /nfs/dbraw/zinc/94/53/77/720945377.db2.gz DPMYWDJGIYQXNN-MRXNPFEDSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1cc2ccccc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795721 721497983 /nfs/dbraw/zinc/49/79/83/721497983.db2.gz KQIWRCZGRLFENY-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO Cc1cc2ccccc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795721 721497987 /nfs/dbraw/zinc/49/79/87/721497987.db2.gz KQIWRCZGRLFENY-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(C)(C)C)cn1)C2 ZINC001164912278 721765408 /nfs/dbraw/zinc/76/54/08/721765408.db2.gz XIIBTFYZOTWKSD-UHFFFAOYSA-N 1 1 390.531 4.562 20 0 GJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C(C)(C)C)cn1)C2 ZINC001164912278 721765410 /nfs/dbraw/zinc/76/54/10/721765410.db2.gz XIIBTFYZOTWKSD-UHFFFAOYSA-N 1 1 390.531 4.562 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)c4ccccc43)C[C@@H]21 ZINC001165027114 721813631 /nfs/dbraw/zinc/81/36/31/721813631.db2.gz SHKZCJYJOYDKMH-JWNTYJGQSA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(F)cc43)C[C@@H]21 ZINC001165025987 721813735 /nfs/dbraw/zinc/81/37/35/721813735.db2.gz OTLDAIJJANWMGF-YFXJRYMSSA-N 1 1 390.506 4.506 20 0 GJADMO COc1ccc2c(ccnc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993259 722195636 /nfs/dbraw/zinc/19/56/36/722195636.db2.gz DQADGXBZJZCSFC-DEOSSOPVSA-N 1 1 391.490 4.627 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc4ccccc4nc2Cl)C3)c1 ZINC001164994560 722197362 /nfs/dbraw/zinc/19/73/62/722197362.db2.gz NYAQHCQLCGFBMO-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc4ccccc4nc2Cl)C3)c1 ZINC001164994560 722197364 /nfs/dbraw/zinc/19/73/64/722197364.db2.gz NYAQHCQLCGFBMO-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN([C@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164995637 722199548 /nfs/dbraw/zinc/19/95/48/722199548.db2.gz WIFPWHSWPWGZAC-PMACEKPBSA-N 1 1 377.866 4.583 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc4ccc(F)cc4cn2)C3)c1 ZINC001164997266 722209071 /nfs/dbraw/zinc/20/90/71/722209071.db2.gz XWWLNXKOILKZJW-QHCPKHFHSA-N 1 1 379.454 4.758 20 0 GJADMO O[C@@H](C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F ZINC000240551396 570431024 /nfs/dbraw/zinc/43/10/24/570431024.db2.gz GTKZHJOIYCZNDS-IRXDYDNUSA-N 1 1 392.446 5.186 20 0 GJADMO O[C@@H](C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1C(F)(F)F ZINC000240551396 570431029 /nfs/dbraw/zinc/43/10/29/570431029.db2.gz GTKZHJOIYCZNDS-IRXDYDNUSA-N 1 1 392.446 5.186 20 0 GJADMO Fc1ccc2c(Cl)nnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164626851 719105715 /nfs/dbraw/zinc/10/57/15/719105715.db2.gz JFEGJMTXIFGMJC-OXQOHEQNSA-N 1 1 396.897 4.523 20 0 GJADMO Cc1c(Cl)ccc2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc21 ZINC001164652944 719314313 /nfs/dbraw/zinc/31/43/13/719314313.db2.gz UZKDJPQRUXOVLU-UHFFFAOYSA-N 1 1 397.954 4.598 20 0 GJADMO CCSc1ccnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164702204 719815791 /nfs/dbraw/zinc/81/57/91/719815791.db2.gz RKRWRVDWESRIRZ-UHFFFAOYSA-N 1 1 388.606 4.594 20 0 GJADMO Clc1ccc2ccc(Cl)c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2n1 ZINC001164724786 720473244 /nfs/dbraw/zinc/47/32/44/720473244.db2.gz HIHWZBCLCZVHNZ-MSOLQXFVSA-N 1 1 399.325 4.790 20 0 GJADMO Cc1ccc(F)c2cc(C)c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nc12 ZINC001164863495 720977404 /nfs/dbraw/zinc/97/74/04/720977404.db2.gz VUXCFFBONVMLMK-QGZVFWFLSA-N 1 1 395.526 4.609 20 0 GJADMO Cc1ccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165025525 721811622 /nfs/dbraw/zinc/81/16/22/721811622.db2.gz NGOFYFRPDZIIGM-NKKJXINNSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(F)cc43)C[C@H]21 ZINC001165025984 721813640 /nfs/dbraw/zinc/81/36/40/721813640.db2.gz OTLDAIJJANWMGF-CDNPAEQRSA-N 1 1 390.506 4.506 20 0 GJADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(Cl)nc(C)c4C)CC3)C2)cc1 ZINC001164939392 721927436 /nfs/dbraw/zinc/92/74/36/721927436.db2.gz LIFHXOBZTXBTBH-UHFFFAOYSA-N 1 1 399.966 4.532 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164979716 722166271 /nfs/dbraw/zinc/16/62/71/722166271.db2.gz VTQAHXXMRLUPNE-SIKLNZKXSA-N 1 1 392.971 4.800 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2ccc(Cl)nc2)C3)c1 ZINC001164989471 722190728 /nfs/dbraw/zinc/19/07/28/722190728.db2.gz OEOZLQXIBZIQAK-IBGZPJMESA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2ccc(Cl)nc2)C3)c1 ZINC001164989471 722190729 /nfs/dbraw/zinc/19/07/29/722190729.db2.gz OEOZLQXIBZIQAK-IBGZPJMESA-N 1 1 395.856 4.664 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncc(Cl)cc2Cl)C3)c1 ZINC001164995349 722191982 /nfs/dbraw/zinc/19/19/82/722191982.db2.gz UWNNTGCGLFXZSP-IBGZPJMESA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncc(Cl)cc2Cl)C3)c1 ZINC001164995349 722191985 /nfs/dbraw/zinc/19/19/85/722191985.db2.gz UWNNTGCGLFXZSP-IBGZPJMESA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nccc4c(Cl)ccnc42)C3)c1 ZINC001164995243 722194234 /nfs/dbraw/zinc/19/42/34/722194234.db2.gz SVDPOZIFDBSENO-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO CCc1cc2c(ncnc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)s1 ZINC001164993673 722199232 /nfs/dbraw/zinc/19/92/32/722199232.db2.gz HFWTYMQAHFBSLS-JOCHJYFZSA-N 1 1 396.535 4.638 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc4c(Cl)ccnc4cn2)C3)c1 ZINC001164997232 722203873 /nfs/dbraw/zinc/20/38/73/722203873.db2.gz XJOIIXRBKMCOJM-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc4ccc(F)cc4cn2)C3)c1 ZINC001164997265 722208914 /nfs/dbraw/zinc/20/89/14/722208914.db2.gz XWWLNXKOILKZJW-HSZRJFAPSA-N 1 1 379.454 4.758 20 0 GJADMO CC(C)c1c(Cl)ncnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998777 722212422 /nfs/dbraw/zinc/21/24/22/722212422.db2.gz XRHWCPHCITUDBT-NRFANRHFSA-N 1 1 388.918 4.637 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994849 722213705 /nfs/dbraw/zinc/21/37/05/722213705.db2.gz DTPZIZXPDUSYLU-QFIPXVFZSA-N 1 1 387.930 4.850 20 0 GJADMO Fc1ccc2c(Cl)ncnc2c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624349 719112399 /nfs/dbraw/zinc/11/23/99/719112399.db2.gz FLFMWQQZJFRHCC-APWZRJJASA-N 1 1 396.897 4.523 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)c4ccccc4n2)CC3)cs1 ZINC001164694332 719807717 /nfs/dbraw/zinc/80/77/17/719807717.db2.gz VGRHKCFGKHKAQJ-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)cn1)CC2 ZINC001164837034 720728035 /nfs/dbraw/zinc/72/80/35/720728035.db2.gz CXOXFEXJBJBGSW-QFIPXVFZSA-N 1 1 393.575 4.639 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccc(Cl)cc3n1)[C@@H]2C ZINC001164858048 720976470 /nfs/dbraw/zinc/97/64/70/720976470.db2.gz GOXTXJBXOVJWOJ-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccc(F)cc31)CC2 ZINC001164792969 721496002 /nfs/dbraw/zinc/49/60/02/721496002.db2.gz WOLMHJZQNTYQJL-UHFFFAOYSA-N 1 1 390.506 4.650 20 0 GJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)nc1 ZINC001164900238 721499261 /nfs/dbraw/zinc/49/92/61/721499261.db2.gz NRNLAUMDAFGFDV-AFXVXQJMSA-N 1 1 383.580 4.660 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3Cl)C[C@H]21 ZINC001165024644 721808602 /nfs/dbraw/zinc/80/86/02/721808602.db2.gz MPIJAVUZMXDHML-YXJHDRRASA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)ccnc3Cl)C[C@@H]21 ZINC001165026789 721810368 /nfs/dbraw/zinc/81/03/68/721810368.db2.gz RBGCEXGBRXHNJW-QILLFSRXSA-N 1 1 391.346 4.520 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4cccc(F)c4n2)C3)c1 ZINC001164995973 722206037 /nfs/dbraw/zinc/20/60/37/722206037.db2.gz QVXMAFSXXRYMLQ-HSZRJFAPSA-N 1 1 379.454 4.758 20 0 GJADMO CCOc1ccccc1NC(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000007977017 221017629 /nfs/dbraw/zinc/01/76/29/221017629.db2.gz IMYDBGCBBXGYJE-UHFFFAOYSA-N 1 1 395.547 4.900 20 0 GJADMO C(c1nc2sc3c(c2c(N2CCC24CCCC4)n1)CCCC3)[NH+]1CCCC1 ZINC001164399723 718845728 /nfs/dbraw/zinc/84/57/28/718845728.db2.gz FFZXZEDMVWMYNX-UHFFFAOYSA-N 1 1 382.577 4.689 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645844 719291192 /nfs/dbraw/zinc/29/11/92/719291192.db2.gz MCOZMZCZGOEVDR-RRQGHBQHSA-N 1 1 389.952 4.766 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645844 719291197 /nfs/dbraw/zinc/29/11/97/719291197.db2.gz MCOZMZCZGOEVDR-RRQGHBQHSA-N 1 1 389.952 4.766 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4c(F)cccc42)CC3)cs1 ZINC001164692755 719809712 /nfs/dbraw/zinc/80/97/12/719809712.db2.gz MFBANHDWTMIBKQ-UHFFFAOYSA-N 1 1 396.535 4.774 20 0 GJADMO CCc1cc2c(ccnc2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)o1 ZINC001164703971 719816352 /nfs/dbraw/zinc/81/63/52/719816352.db2.gz WNORDYQADNDSRS-UHFFFAOYSA-N 1 1 396.560 4.790 20 0 GJADMO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767864 721296212 /nfs/dbraw/zinc/29/62/12/721296212.db2.gz AJMUPKPFOKDVRI-UHFFFAOYSA-N 1 1 396.696 4.509 20 0 GJADMO Cc1cncc(COC[C@]23CCC[C@H]2C[N@H+](C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804053 721601853 /nfs/dbraw/zinc/60/18/53/721601853.db2.gz WOCCOPVRFYQYFN-NZQKXSOJSA-N 1 1 399.966 4.992 20 0 GJADMO Cc1cccc2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc12 ZINC001164913094 721743665 /nfs/dbraw/zinc/74/36/65/721743665.db2.gz SLBVEVGNZWZYIO-UHFFFAOYSA-N 1 1 398.510 4.726 20 0 GJADMO Cc1cccc2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc12 ZINC001164913094 721743670 /nfs/dbraw/zinc/74/36/70/721743670.db2.gz SLBVEVGNZWZYIO-UHFFFAOYSA-N 1 1 398.510 4.726 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3Cl)C[C@@H]21 ZINC001165024638 721808443 /nfs/dbraw/zinc/80/84/43/721808443.db2.gz MPIJAVUZMXDHML-QILLFSRXSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc(F)cc4n3)C[C@H]21 ZINC001165022183 721824711 /nfs/dbraw/zinc/82/47/11/721824711.db2.gz GNQPQPCJAKGELB-QTGUNEKASA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001165028217 721831739 /nfs/dbraw/zinc/83/17/39/721831739.db2.gz UWIFGYUECXHGNX-IOMROCGXSA-N 1 1 398.982 4.598 20 0 GJADMO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001165028217 721831741 /nfs/dbraw/zinc/83/17/41/721831741.db2.gz UWIFGYUECXHGNX-IOMROCGXSA-N 1 1 398.982 4.598 20 0 GJADMO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001165028217 721831744 /nfs/dbraw/zinc/83/17/44/721831744.db2.gz UWIFGYUECXHGNX-IOMROCGXSA-N 1 1 398.982 4.598 20 0 GJADMO Cc1sc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164992803 722193648 /nfs/dbraw/zinc/19/36/48/722193648.db2.gz AZDZGAUWVAJDGY-JOCHJYFZSA-N 1 1 396.535 4.692 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccnc(-c4ccccc4)n2)C3)c1 ZINC001164994303 722194534 /nfs/dbraw/zinc/19/45/34/722194534.db2.gz MVCSZHKFHIYJNY-XMMPIXPASA-N 1 1 388.490 4.528 20 0 GJADMO CC(C)CN1c2ccccc2[C@H]2CN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC[C@H]21 ZINC001165006550 722245823 /nfs/dbraw/zinc/24/58/23/722245823.db2.gz ZPAZSQPMJLCIFG-ISKFKSNPSA-N 1 1 390.575 4.514 20 0 GJADMO CCC[N@@H+](CCC(=O)Nc1cc(C)on1)[C@@H](C)c1ccccc1Br ZINC000071954052 222200330 /nfs/dbraw/zinc/20/03/30/222200330.db2.gz JZWIZJVPMRCCCW-AWEZNQCLSA-N 1 1 394.313 4.547 20 0 GJADMO Cc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc2c(Cl)cccc12 ZINC001164653642 719313580 /nfs/dbraw/zinc/31/35/80/719313580.db2.gz YRGYBSBBJFKJNG-UHFFFAOYSA-N 1 1 397.954 4.598 20 0 GJADMO Cc1cncc(COC[C@@]23CCC[C@H]2C[N@H+](C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804055 721601894 /nfs/dbraw/zinc/60/18/94/721601894.db2.gz WOCCOPVRFYQYFN-REWPJTCUSA-N 1 1 399.966 4.992 20 0 GJADMO Cc1nc(Cl)cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001164910116 721756391 /nfs/dbraw/zinc/75/63/91/721756391.db2.gz MVBSLZQMWLQSJS-UHFFFAOYSA-N 1 1 396.922 4.535 20 0 GJADMO Cc1nc(Cl)cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C ZINC001164910116 721756394 /nfs/dbraw/zinc/75/63/94/721756394.db2.gz MVBSLZQMWLQSJS-UHFFFAOYSA-N 1 1 396.922 4.535 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(Cl)cc3Cl)C[C@@H]21 ZINC001165020323 721800898 /nfs/dbraw/zinc/80/08/98/721800898.db2.gz FDVVGJKNWKCNLH-DKSSEZFCSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)ccn3)C[C@@H]21 ZINC001165022236 721806699 /nfs/dbraw/zinc/80/66/99/721806699.db2.gz IIWHHWUDNKNQIR-ZKMPZPQNSA-N 1 1 398.554 4.881 20 0 GJADMO F[C@H](c1ccnc(Cl)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001165045104 721939877 /nfs/dbraw/zinc/93/98/77/721939877.db2.gz SYBAZNBBUJTTKL-IBGZPJMESA-N 1 1 391.277 4.727 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(-c4ccccc4)nn2)C3)c1 ZINC001164995648 722194946 /nfs/dbraw/zinc/19/49/46/722194946.db2.gz WOELTJPQQFYGCW-DEOSSOPVSA-N 1 1 388.490 4.528 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)cc4[nH]ccc42)C3)c1 ZINC001164993288 722195544 /nfs/dbraw/zinc/19/55/44/722195544.db2.gz FFPKOEKVGYPMGT-OAQYLSRUSA-N 1 1 384.886 4.600 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncc4ccc(Cl)cc4n2)C3)c1 ZINC001164995391 722202876 /nfs/dbraw/zinc/20/28/76/722202876.db2.gz NGOJQOHDTVYRFL-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO c1c2ccccc2oc1-c1nnc(S[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000240407361 209018345 /nfs/dbraw/zinc/01/83/45/209018345.db2.gz FLQICDBDJUFMNY-KRWDZBQOSA-N 1 1 377.469 4.849 20 0 GJADMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)Nc1ccc(F)cc1Cl ZINC000071982681 222202914 /nfs/dbraw/zinc/20/29/14/222202914.db2.gz AMCRCMJXBJITJB-NRFANRHFSA-N 1 1 386.829 4.936 20 0 GJADMO c1c2ccccc2oc1-c1nnc(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000240407362 570684921 /nfs/dbraw/zinc/68/49/21/570684921.db2.gz FLQICDBDJUFMNY-QGZVFWFLSA-N 1 1 377.469 4.849 20 0 GJADMO Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(C=Cc4ccccc43)CC2)n1 ZINC001164420828 718908342 /nfs/dbraw/zinc/90/83/42/718908342.db2.gz NOVSPYBNZDYEEO-UHFFFAOYSA-N 1 1 379.935 4.896 20 0 GJADMO Cc1ccc2nc(Cl)cc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2c1 ZINC001164645929 719309321 /nfs/dbraw/zinc/30/93/21/719309321.db2.gz AEOBIKFVMHPABC-UHFFFAOYSA-N 1 1 397.954 4.598 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4c(C)cccc42)CC3)cs1 ZINC001164691955 719809282 /nfs/dbraw/zinc/80/92/82/719809282.db2.gz BOVQHVCKKFLIMU-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc4ccsc4cn2)CC3)cs1 ZINC001164692874 719810086 /nfs/dbraw/zinc/81/00/86/719810086.db2.gz NIABYUMWJHXHTK-UHFFFAOYSA-N 1 1 384.574 4.696 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4cccc(C)c42)CC3)cs1 ZINC001164693483 719815303 /nfs/dbraw/zinc/81/53/03/719815303.db2.gz VJEDPHZQVOHFES-UHFFFAOYSA-N 1 1 392.572 4.943 20 0 GJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731063 720365705 /nfs/dbraw/zinc/36/57/05/720365705.db2.gz YTINYZWCOSIUJQ-MOPGFXCFSA-N 1 1 399.325 4.790 20 0 GJADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc2c(Cl)cccc12 ZINC001164861961 720987558 /nfs/dbraw/zinc/98/75/58/720987558.db2.gz RYAYRRRBNOQBOT-MRXNPFEDSA-N 1 1 397.954 4.815 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3c(F)cccc31)CC2 ZINC001164792447 721496404 /nfs/dbraw/zinc/49/64/04/721496404.db2.gz OTKOTDTUIVTTSR-UHFFFAOYSA-N 1 1 390.506 4.650 20 0 GJADMO Cc1cc(Cl)c(C)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911418 721756136 /nfs/dbraw/zinc/75/61/36/721756136.db2.gz VLGGTYLWVZVKFK-UHFFFAOYSA-N 1 1 396.922 4.535 20 0 GJADMO Cc1cc(Cl)c(C)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911418 721756139 /nfs/dbraw/zinc/75/61/39/721756139.db2.gz VLGGTYLWVZVKFK-UHFFFAOYSA-N 1 1 396.922 4.535 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)cc(Cl)n3)C[C@H]21 ZINC001165026564 721800220 /nfs/dbraw/zinc/80/02/20/721800220.db2.gz REVAQMQAOUEDEE-BMGDILEWSA-N 1 1 391.346 4.520 20 0 GJADMO Cc1cccc2c1ccnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025981 721812724 /nfs/dbraw/zinc/81/27/24/721812724.db2.gz OSMHINOFNSAGGR-IGKWTDBASA-N 1 1 386.543 4.675 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(Cl)cc(Cl)n2)C3)c1 ZINC001164994147 722192012 /nfs/dbraw/zinc/19/20/12/722192012.db2.gz KPQWLLMYNOREMS-LJQANCHMSA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc4c(Cl)ccnc4cn2)C3)c1 ZINC001164997234 722203430 /nfs/dbraw/zinc/20/34/30/722203430.db2.gz XJOIIXRBKMCOJM-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO CSc1cc(Cl)cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995996 722206479 /nfs/dbraw/zinc/20/64/79/722206479.db2.gz RFUYIWXNDVQJQB-HXUWFJFHSA-N 1 1 391.943 4.841 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4nccc(Cl)c4n2)C3)c1 ZINC001164995024 722206646 /nfs/dbraw/zinc/20/66/46/722206646.db2.gz KLDVKHPKMJUEQK-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ccc2Cl)CC3)cs1 ZINC001164692429 719807303 /nfs/dbraw/zinc/80/73/03/719807303.db2.gz GRMBQIXEWFEZER-UHFFFAOYSA-N 1 1 397.375 4.788 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3cc(Cl)ccc3n1)[C@@H]2C ZINC001164857758 720932490 /nfs/dbraw/zinc/93/24/90/720932490.db2.gz MHTNICOKIZRRKF-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3sccc31)[C@H]2C ZINC001164862431 720947997 /nfs/dbraw/zinc/94/79/97/720947997.db2.gz VMSUPJBWMCPNCL-ZDUSSCGKSA-N 1 1 389.956 4.568 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(OC(C)(C)C)n1)CC2 ZINC001164792201 721496813 /nfs/dbraw/zinc/49/68/13/721496813.db2.gz KDQYSDHEMXPLRB-UHFFFAOYSA-N 1 1 394.563 4.535 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3Cl)C[C@@H]21 ZINC001165020336 721800788 /nfs/dbraw/zinc/80/07/88/721800788.db2.gz FDVVGJKNWKCNLH-UCLAIMLFSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc(F)c4n3)C[C@H]21 ZINC001165029029 721820257 /nfs/dbraw/zinc/82/02/57/721820257.db2.gz YQOMFOLMWXTOCD-SYYKKAFVSA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccc(F)cc4cn3)C[C@@H]21 ZINC001165023085 721825888 /nfs/dbraw/zinc/82/58/88/721825888.db2.gz HKQSGLQRSKLSQC-YFXJRYMSSA-N 1 1 390.506 4.506 20 0 GJADMO Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001164952293 722005561 /nfs/dbraw/zinc/00/55/61/722005561.db2.gz MHTPZHBNGRDYNH-AEFFLSMTSA-N 1 1 392.934 4.642 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4c(Cl)cccc42)C3)c1 ZINC001164995570 722195595 /nfs/dbraw/zinc/19/55/95/722195595.db2.gz VMVNPSSWLAKJNB-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)ccc2Cl)C3)c1 ZINC001164994571 722197030 /nfs/dbraw/zinc/19/70/30/722197030.db2.gz NZKFQQAMYWQDDZ-LJQANCHMSA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)ccc2Cl)C3)c1 ZINC001164994571 722197031 /nfs/dbraw/zinc/19/70/31/722197031.db2.gz NZKFQQAMYWQDDZ-LJQANCHMSA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4cc(Cl)cnc4n2)C3)c1 ZINC001164993257 722198226 /nfs/dbraw/zinc/19/82/26/722198226.db2.gz DOOLUEVUHSNJSK-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(-c4ccsc4)nn2)C3)c1 ZINC001164994658 722211349 /nfs/dbraw/zinc/21/13/49/722211349.db2.gz CCLBOTWTJSZKNX-QFIPXVFZSA-N 1 1 394.519 4.589 20 0 GJADMO COc1ccc(-c2n[nH]cc2C[N@@H+](CCc2ccccc2)Cc2ccncc2)cc1 ZINC000013990183 221295974 /nfs/dbraw/zinc/29/59/74/221295974.db2.gz YWQGQGAMNIMBFO-UHFFFAOYSA-N 1 1 398.510 4.725 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645842 719291038 /nfs/dbraw/zinc/29/10/38/719291038.db2.gz MCOZMZCZGOEVDR-JQFCIGGWSA-N 1 1 389.952 4.766 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645842 719291040 /nfs/dbraw/zinc/29/10/40/719291040.db2.gz MCOZMZCZGOEVDR-JQFCIGGWSA-N 1 1 389.952 4.766 20 0 GJADMO Clc1ccc(-c2ccccc2)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729012 720380827 /nfs/dbraw/zinc/38/08/27/720380827.db2.gz UQUOOMFTOUVIRQ-SFTDATJTSA-N 1 1 390.918 4.650 20 0 GJADMO Cc1c(Cl)ccc2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc21 ZINC001164860523 720989874 /nfs/dbraw/zinc/98/98/74/720989874.db2.gz OMODHBCGLWBIOJ-INIZCTEOSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1ccc(-c2nnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c3ccccc32)cc1 ZINC001164770311 721297796 /nfs/dbraw/zinc/29/77/96/721297796.db2.gz RCCXPPDZRVZJHF-UHFFFAOYSA-N 1 1 384.527 4.527 20 0 GJADMO Cc1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ccc2c1 ZINC001164909377 721744898 /nfs/dbraw/zinc/74/48/98/721744898.db2.gz QFUQRQXAUGCNGR-UHFFFAOYSA-N 1 1 398.510 4.726 20 0 GJADMO Cc1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ccc2c1 ZINC001164909377 721744900 /nfs/dbraw/zinc/74/49/00/721744900.db2.gz QFUQRQXAUGCNGR-UHFFFAOYSA-N 1 1 398.510 4.726 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3Cl)C[C@H]21 ZINC001165024636 721808389 /nfs/dbraw/zinc/80/83/89/721808389.db2.gz MPIJAVUZMXDHML-QGPMSJSTSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cc(F)ccc4n3)C[C@@H]21 ZINC001165023600 721809682 /nfs/dbraw/zinc/80/96/82/721809682.db2.gz IHHQRQRKPOHTFG-AVCGJXAMSA-N 1 1 390.506 4.506 20 0 GJADMO Cc1ccc2ccnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165025528 721811629 /nfs/dbraw/zinc/81/16/29/721811629.db2.gz NGOFYFRPDZIIGM-ZTCOLXNVSA-N 1 1 386.543 4.675 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(Cl)nc4ncccc24)C3)c1 ZINC001164994230 722198220 /nfs/dbraw/zinc/19/82/20/722198220.db2.gz LWGOBOFMZTUQHN-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(-c4cccs4)ncn2)C3)c1 ZINC001164996246 722209419 /nfs/dbraw/zinc/20/94/19/722209419.db2.gz SCVCNURUMJPLDX-QFIPXVFZSA-N 1 1 394.519 4.589 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(-c4ccsc4)nn2)C3)c1 ZINC001164994655 722211142 /nfs/dbraw/zinc/21/11/42/722211142.db2.gz CCLBOTWTJSZKNX-JOCHJYFZSA-N 1 1 394.519 4.589 20 0 GJADMO CCc1nc2sccc2c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994366 722211434 /nfs/dbraw/zinc/21/14/34/722211434.db2.gz BEJVMKUDUADEDQ-QFIPXVFZSA-N 1 1 396.535 4.638 20 0 GJADMO FC(F)c1nc2ccccc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164628457 719102180 /nfs/dbraw/zinc/10/21/80/719102180.db2.gz MXRJRIDDQKQZPL-PXNSSMCTSA-N 1 1 394.469 4.668 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccsc31)CC2 ZINC001164791566 721493068 /nfs/dbraw/zinc/49/30/68/721493068.db2.gz DPJYNJOGSQDPMM-UHFFFAOYSA-N 1 1 378.545 4.572 20 0 GJADMO Cc1cccc2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165020408 721799477 /nfs/dbraw/zinc/79/94/77/721799477.db2.gz FPRODLLEPHFFBL-PMVMPFDFSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc12 ZINC001165025173 721810695 /nfs/dbraw/zinc/81/06/95/721810695.db2.gz LPYLWBPTFVDJCA-APTRMMRNSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(F)cc43)C[C@H]21 ZINC001165025986 721813565 /nfs/dbraw/zinc/81/35/65/721813565.db2.gz OTLDAIJJANWMGF-SXSPYAJSSA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001165028213 721831671 /nfs/dbraw/zinc/83/16/71/721831671.db2.gz UWIFGYUECXHGNX-DUXKGJEZSA-N 1 1 398.982 4.598 20 0 GJADMO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001165028213 721831673 /nfs/dbraw/zinc/83/16/73/721831673.db2.gz UWIFGYUECXHGNX-DUXKGJEZSA-N 1 1 398.982 4.598 20 0 GJADMO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001165028213 721831675 /nfs/dbraw/zinc/83/16/75/721831675.db2.gz UWIFGYUECXHGNX-DUXKGJEZSA-N 1 1 398.982 4.598 20 0 GJADMO Clc1cccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc12 ZINC001164953631 722016837 /nfs/dbraw/zinc/01/68/37/722016837.db2.gz WEARYUCTDUZULL-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO c1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000008074653 221026219 /nfs/dbraw/zinc/02/62/19/221026219.db2.gz NFAMNLVSVCHYOH-UHFFFAOYSA-N 1 1 376.485 4.726 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645933 719291271 /nfs/dbraw/zinc/29/12/71/719291271.db2.gz MCOZMZCZGOEVDR-XKQJLSEDSA-N 1 1 389.952 4.766 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645933 719291279 /nfs/dbraw/zinc/29/12/79/719291279.db2.gz MCOZMZCZGOEVDR-XKQJLSEDSA-N 1 1 389.952 4.766 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3Cl)C[C@@H]21 ZINC001165024641 721808393 /nfs/dbraw/zinc/80/83/93/721808393.db2.gz MPIJAVUZMXDHML-UWWQBHOKSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cc(F)ccc4n3)C[C@@H]21 ZINC001165023604 721809739 /nfs/dbraw/zinc/80/97/39/721809739.db2.gz IHHQRQRKPOHTFG-RZFNWQHOSA-N 1 1 390.506 4.506 20 0 GJADMO Cc1cccc2c1ccnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165025982 721812654 /nfs/dbraw/zinc/81/26/54/721812654.db2.gz OSMHINOFNSAGGR-WDJPJFJCSA-N 1 1 386.543 4.675 20 0 GJADMO Clc1ccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc2c1 ZINC001164955540 722013654 /nfs/dbraw/zinc/01/36/54/722013654.db2.gz WFZMWNLLTMRSFG-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nncc4cc(Cl)ccc42)C3)c1 ZINC001164994875 722201172 /nfs/dbraw/zinc/20/11/72/722201172.db2.gz JAGAKPROJWDPHE-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cnc(-c4ccccc4)cn2)C3)c1 ZINC001164995175 722207948 /nfs/dbraw/zinc/20/79/48/722207948.db2.gz LJWHMASNOYMHKY-XMMPIXPASA-N 1 1 388.490 4.528 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164996914 722211550 /nfs/dbraw/zinc/21/15/50/722211550.db2.gz OKIXTDWDZPERAZ-XMMPIXPASA-N 1 1 395.522 4.535 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(COC4CCC4)cn2)C3)c1 ZINC001164996913 722211584 /nfs/dbraw/zinc/21/15/84/722211584.db2.gz OKIXTDWDZPERAZ-DEOSSOPVSA-N 1 1 395.522 4.535 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994844 722213717 /nfs/dbraw/zinc/21/37/17/722213717.db2.gz DTPZIZXPDUSYLU-JOCHJYFZSA-N 1 1 387.930 4.850 20 0 GJADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164650352 719312267 /nfs/dbraw/zinc/31/22/67/719312267.db2.gz WIOGFJUDYLYCCY-UHFFFAOYSA-N 1 1 397.954 4.598 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3cc(Cl)ccc3n1)[C@H]2C ZINC001164857753 720931664 /nfs/dbraw/zinc/93/16/64/720931664.db2.gz MHTNICOKIZRRKF-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1ccc(F)c2cc(C)c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nc12 ZINC001164863492 720976831 /nfs/dbraw/zinc/97/68/31/720976831.db2.gz VUXCFFBONVMLMK-KRWDZBQOSA-N 1 1 395.526 4.609 20 0 GJADMO c1ccc(-c2ncc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2-c2ccccc2)cc1 ZINC001164774179 721287546 /nfs/dbraw/zinc/28/75/46/721287546.db2.gz XTNHXPYIEOEDSR-UHFFFAOYSA-N 1 1 396.538 4.733 20 0 GJADMO CC(C)c1c(Cl)ncnc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795747 721502925 /nfs/dbraw/zinc/50/29/25/721502925.db2.gz MSTIXRNOUFSBAY-UHFFFAOYSA-N 1 1 399.970 4.529 20 0 GJADMO Cc1cc2ccccc2nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910051 721749896 /nfs/dbraw/zinc/74/98/96/721749896.db2.gz ZNFATFKYNWORSF-UHFFFAOYSA-N 1 1 398.510 4.726 20 0 GJADMO Cc1cc2ccccc2nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910051 721749900 /nfs/dbraw/zinc/74/99/00/721749900.db2.gz ZNFATFKYNWORSF-UHFFFAOYSA-N 1 1 398.510 4.726 20 0 GJADMO Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c1 ZINC001165019622 721799712 /nfs/dbraw/zinc/79/97/12/721799712.db2.gz DJAPSIHQRAGMFC-SSPYTLHUSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cc(F)ccc4n3)C[C@H]21 ZINC001165023603 721809766 /nfs/dbraw/zinc/80/97/66/721809766.db2.gz IHHQRQRKPOHTFG-QTGUNEKASA-N 1 1 390.506 4.506 20 0 GJADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc12 ZINC001165025176 721810751 /nfs/dbraw/zinc/81/07/51/721810751.db2.gz LPYLWBPTFVDJCA-KWOQKUFVSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(F)cc43)C[C@@H]21 ZINC001165025985 721813519 /nfs/dbraw/zinc/81/35/19/721813519.db2.gz OTLDAIJJANWMGF-OFAXGOBFSA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc(F)c4n3)C[C@@H]21 ZINC001165029025 721820455 /nfs/dbraw/zinc/82/04/55/721820455.db2.gz YQOMFOLMWXTOCD-KAGYGMCKSA-N 1 1 390.506 4.506 20 0 GJADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H](c3ccncc3)C2)n1 ZINC001165040711 721929029 /nfs/dbraw/zinc/92/90/29/721929029.db2.gz KTBDBFSXUWNBRE-GOSISDBHSA-N 1 1 395.576 4.539 20 0 GJADMO Clc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2ccsc2n1 ZINC001164951764 722016078 /nfs/dbraw/zinc/01/60/78/722016078.db2.gz DJRVKYSGDJLKAN-UHFFFAOYSA-N 1 1 398.963 4.837 20 0 GJADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC(OCC4CC4)C3)CC2)nc1 ZINC001164977971 722172702 /nfs/dbraw/zinc/17/27/02/722172702.db2.gz OPMKNLUHTJDKHB-QFIPXVFZSA-N 1 1 383.580 4.804 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cnc4ccc(Cl)cc4n2)C3)c1 ZINC001164993919 722198553 /nfs/dbraw/zinc/19/85/53/722198553.db2.gz JHAHKYXJCRHNNR-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nccc4ccc(F)cc42)C3)c1 ZINC001164995903 722200693 /nfs/dbraw/zinc/20/06/93/722200693.db2.gz PSDJKTXDMBKOBC-HSZRJFAPSA-N 1 1 379.454 4.758 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc4ccc(Cl)nc4cn2)C3)c1 ZINC001164995920 722201312 /nfs/dbraw/zinc/20/13/12/722201312.db2.gz PWSGZZPEZGXOAR-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4ccc(F)cc4n2)C3)c1 ZINC001164996313 722208278 /nfs/dbraw/zinc/20/82/78/722208278.db2.gz TUPSYPYYHLSWHT-QHCPKHFHSA-N 1 1 379.454 4.758 20 0 GJADMO COc1cccc2c1ccnc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164997188 722210297 /nfs/dbraw/zinc/21/02/97/722210297.db2.gz WTPJDNYRSCDWII-XMMPIXPASA-N 1 1 391.490 4.627 20 0 GJADMO O=C(Nc1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000018174943 207094237 /nfs/dbraw/zinc/09/42/37/207094237.db2.gz SCCMLVNFXGMGAK-UHFFFAOYSA-N 1 1 389.474 4.765 20 0 GJADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001164441293 718988706 /nfs/dbraw/zinc/98/87/06/718988706.db2.gz YEYZDGWGOJNLIA-UHFFFAOYSA-N 1 1 383.229 4.612 20 0 GJADMO Cc1ccc2cc(Cl)nc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2c1 ZINC001164647665 719313728 /nfs/dbraw/zinc/31/37/28/719313728.db2.gz DXDFNRZOYUBOEZ-UHFFFAOYSA-N 1 1 397.954 4.598 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4ccc(F)cc4n2)CC3)cs1 ZINC001164692151 719814072 /nfs/dbraw/zinc/81/40/72/719814072.db2.gz MJQQABALYINSQW-UHFFFAOYSA-N 1 1 396.535 4.774 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C(C)(C)C)cn2)CC3)cs1 ZINC001164701121 719817215 /nfs/dbraw/zinc/81/72/15/719817215.db2.gz ODCFBTPUYTZMBJ-UHFFFAOYSA-N 1 1 384.593 4.779 20 0 GJADMO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ccc12 ZINC001164723667 720474040 /nfs/dbraw/zinc/47/40/40/720474040.db2.gz DBRZKVBMBORQDD-MOPGFXCFSA-N 1 1 399.325 4.790 20 0 GJADMO Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc2c1 ZINC001165019620 721799902 /nfs/dbraw/zinc/79/99/02/721799902.db2.gz DJAPSIHQRAGMFC-ODGPQVTHSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc2c1 ZINC001165019616 721800015 /nfs/dbraw/zinc/80/00/15/721800015.db2.gz DJAPSIHQRAGMFC-BGWNEDDSSA-N 1 1 386.543 4.675 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccc(F)cc4cn3)C[C@H]21 ZINC001165023082 721825824 /nfs/dbraw/zinc/82/58/24/721825824.db2.gz HKQSGLQRSKLSQC-SXSPYAJSSA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccc(N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1)C1CC1 ZINC001165032824 721880225 /nfs/dbraw/zinc/88/02/25/721880225.db2.gz FAOWCKZEBGTTDR-UHFFFAOYSA-N 1 1 389.902 4.516 20 0 GJADMO Clc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2sccc2n1 ZINC001164952550 722015596 /nfs/dbraw/zinc/01/55/96/722015596.db2.gz NJOUINLXQULHKJ-UHFFFAOYSA-N 1 1 398.963 4.837 20 0 GJADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164979714 722166194 /nfs/dbraw/zinc/16/61/94/722166194.db2.gz VTQAHXXMRLUPNE-DENIHFKCSA-N 1 1 392.971 4.800 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cnc4cccc(Cl)c4n2)C3)c1 ZINC001164994286 722195603 /nfs/dbraw/zinc/19/56/03/722195603.db2.gz MOUWANBRSGAZBE-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)ccc2Cl)C3)c1 ZINC001164994569 722197303 /nfs/dbraw/zinc/19/73/03/722197303.db2.gz NZKFQQAMYWQDDZ-IBGZPJMESA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)ccc2Cl)C3)c1 ZINC001164994569 722197304 /nfs/dbraw/zinc/19/73/04/722197304.db2.gz NZKFQQAMYWQDDZ-IBGZPJMESA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncc4cc(Cl)ccc4n2)C3)c1 ZINC001164996655 722201892 /nfs/dbraw/zinc/20/18/92/722201892.db2.gz UWWZHKLHRYWUBJ-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4c(Cl)ccnc4n2)C3)c1 ZINC001164997305 722202888 /nfs/dbraw/zinc/20/28/88/722202888.db2.gz YYZHNVZNSUKGFH-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725841 720381044 /nfs/dbraw/zinc/38/10/44/720381044.db2.gz NTQPYZBWZIHMBM-NHCUHLMSSA-N 1 1 390.918 4.650 20 0 GJADMO Clc1ccc2ccc(Cl)c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2n1 ZINC001164724788 720473753 /nfs/dbraw/zinc/47/37/53/720473753.db2.gz HIHWZBCLCZVHNZ-ROUUACIJSA-N 1 1 399.325 4.790 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(Cl)cccc3n1)[C@H]2C ZINC001164863427 720957829 /nfs/dbraw/zinc/95/78/29/720957829.db2.gz ZYASZMYUUVOEKO-HNNXBMFYSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc2cc(Cl)ccc12 ZINC001164863532 720977862 /nfs/dbraw/zinc/97/78/62/720977862.db2.gz WBCONEYAGARUNR-MRXNPFEDSA-N 1 1 397.954 4.815 20 0 GJADMO CC(C)c1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(C(C)(C)C)n1 ZINC001164856749 721010470 /nfs/dbraw/zinc/01/04/70/721010470.db2.gz BRNVGROMYCXLAY-QGZVFWFLSA-N 1 1 398.599 4.515 20 0 GJADMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc2ccccc12 ZINC001164791345 721494477 /nfs/dbraw/zinc/49/44/77/721494477.db2.gz AZFKXGLKTVNMOD-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(F)c3ccccc31)CC2 ZINC001164791559 721495898 /nfs/dbraw/zinc/49/58/98/721495898.db2.gz DOVOBLSBPNJGIG-UHFFFAOYSA-N 1 1 390.506 4.650 20 0 GJADMO Cc1nc(Cl)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001164791999 721496647 /nfs/dbraw/zinc/49/66/47/721496647.db2.gz IYBPALZFXPZEPF-UHFFFAOYSA-N 1 1 384.955 4.628 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccc(F)cc4cn3)C[C@H]21 ZINC001165023075 721825842 /nfs/dbraw/zinc/82/58/42/721825842.db2.gz HKQSGLQRSKLSQC-CDNPAEQRSA-N 1 1 390.506 4.506 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165028215 721831863 /nfs/dbraw/zinc/83/18/63/721831863.db2.gz UWIFGYUECXHGNX-DZFGPLHGSA-N 1 1 398.982 4.598 20 0 GJADMO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165028215 721831865 /nfs/dbraw/zinc/83/18/65/721831865.db2.gz UWIFGYUECXHGNX-DZFGPLHGSA-N 1 1 398.982 4.598 20 0 GJADMO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165028215 721831866 /nfs/dbraw/zinc/83/18/66/721831866.db2.gz UWIFGYUECXHGNX-DZFGPLHGSA-N 1 1 398.982 4.598 20 0 GJADMO Clc1cccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164952929 722016098 /nfs/dbraw/zinc/01/60/98/722016098.db2.gz PAJLIPKLTYNYBI-UHFFFAOYSA-N 1 1 392.934 4.776 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nccc4cc(Cl)ncc42)C3)c1 ZINC001164992844 722197348 /nfs/dbraw/zinc/19/73/48/722197348.db2.gz BDUVLVVTPNZBFQ-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO CSc1cc(Cl)ncc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994649 722197797 /nfs/dbraw/zinc/19/77/97/722197797.db2.gz OUEBSDKWUQIEKU-FQEVSTJZSA-N 1 1 391.943 4.841 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncc(F)c4ccccc42)C3)c1 ZINC001164994476 722200871 /nfs/dbraw/zinc/20/08/71/722200871.db2.gz HULQRYJTHUGTGW-QHCPKHFHSA-N 1 1 379.454 4.758 20 0 GJADMO CSc1ccnc(Cl)c1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995223 722203306 /nfs/dbraw/zinc/20/33/06/722203306.db2.gz LMIPFRQYBVRIGT-FQEVSTJZSA-N 1 1 391.943 4.841 20 0 GJADMO CSc1ccnc(Cl)c1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995223 722203309 /nfs/dbraw/zinc/20/33/09/722203309.db2.gz LMIPFRQYBVRIGT-FQEVSTJZSA-N 1 1 391.943 4.841 20 0 GJADMO COc1cccc2c1ccnc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164997186 722209946 /nfs/dbraw/zinc/20/99/46/722209946.db2.gz WTPJDNYRSCDWII-DEOSSOPVSA-N 1 1 391.490 4.627 20 0 GJADMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccc(Br)cc1 ZINC000022194298 207247902 /nfs/dbraw/zinc/24/79/02/207247902.db2.gz NFEDDEFWQNKBOL-UHFFFAOYSA-N 1 1 381.701 4.563 20 0 GJADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164447975 718991426 /nfs/dbraw/zinc/99/14/26/718991426.db2.gz DUDPGCRPOMNRKF-UHFFFAOYSA-N 1 1 392.812 4.611 20 0 GJADMO Fc1cc2ncnc(Cl)c2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164628043 719091879 /nfs/dbraw/zinc/09/18/79/719091879.db2.gz LWFLPLLNGRWJOH-UZLBHIALSA-N 1 1 396.897 4.523 20 0 GJADMO Fc1ccc2c(Cl)ncnc2c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624355 719113142 /nfs/dbraw/zinc/11/31/42/719113142.db2.gz FLFMWQQZJFRHCC-VQIMIIECSA-N 1 1 396.897 4.523 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4ccccc4n2)CC3)cs1 ZINC001164691235 719803470 /nfs/dbraw/zinc/80/34/70/719803470.db2.gz GHEQYXKWIQOOSX-UHFFFAOYSA-N 1 1 378.545 4.635 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ccsc42)CC3)cs1 ZINC001164694429 719806451 /nfs/dbraw/zinc/80/64/51/719806451.db2.gz XNWSGJKCXMWWIO-UHFFFAOYSA-N 1 1 384.574 4.696 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ccc(F)cc42)CC3)cs1 ZINC001164694529 719809158 /nfs/dbraw/zinc/80/91/58/719809158.db2.gz ZRDKNHLSBUEMST-UHFFFAOYSA-N 1 1 396.535 4.774 20 0 GJADMO Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731065 720366479 /nfs/dbraw/zinc/36/64/79/720366479.db2.gz YTINYZWCOSIUJQ-RBUKOAKNSA-N 1 1 399.325 4.790 20 0 GJADMO Clc1ccc(Cl)c2nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ccc12 ZINC001164723672 720473364 /nfs/dbraw/zinc/47/33/64/720473364.db2.gz DBRZKVBMBORQDD-RBUKOAKNSA-N 1 1 399.325 4.790 20 0 GJADMO Cc1nc(Cl)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001164844839 720694216 /nfs/dbraw/zinc/69/42/16/720694216.db2.gz VJZGXZAMGKBLGR-HXUWFJFHSA-N 1 1 399.966 4.612 20 0 GJADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccccc31)[C@@H]2C ZINC001164858562 720918988 /nfs/dbraw/zinc/91/89/88/720918988.db2.gz ODRPUOJWPMMZLT-OAHLLOKOSA-N 1 1 383.927 4.506 20 0 GJADMO Cc1ccc2nc(Cl)cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164856984 720946509 /nfs/dbraw/zinc/94/65/09/720946509.db2.gz DPMYWDJGIYQXNN-INIZCTEOSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858972 720971508 /nfs/dbraw/zinc/97/15/08/720971508.db2.gz JPPFKTBBUWPZRV-MRXNPFEDSA-N 1 1 397.954 4.815 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164791996 721493814 /nfs/dbraw/zinc/49/38/14/721493814.db2.gz IVYBGFOQTZZXOF-UHFFFAOYSA-N 1 1 390.506 4.650 20 0 GJADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164795717 721501103 /nfs/dbraw/zinc/50/11/03/721501103.db2.gz KJYYKLDCGHEAGX-UHFFFAOYSA-N 1 1 390.506 4.650 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(Cl)cc3Cl)C[C@H]21 ZINC001165020332 721800657 /nfs/dbraw/zinc/80/06/57/721800657.db2.gz FDVVGJKNWKCNLH-POZUXBRTSA-N 1 1 391.346 4.520 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)c4ccccc43)C[C@@H]21 ZINC001165027113 721813667 /nfs/dbraw/zinc/81/36/67/721813667.db2.gz SHKZCJYJOYDKMH-FRGLQRNOSA-N 1 1 390.506 4.506 20 0 GJADMO Cc1sc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1C ZINC001164992810 722193557 /nfs/dbraw/zinc/19/35/57/722193557.db2.gz AZDZGAUWVAJDGY-QFIPXVFZSA-N 1 1 396.535 4.692 20 0 GJADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)c(Cl)cc2C)CC3)cs1 ZINC001164691535 719811415 /nfs/dbraw/zinc/81/14/15/719811415.db2.gz GJTMBCLYGBDHTA-UHFFFAOYSA-N 1 1 390.984 4.752 20 0 GJADMO Clc1ccc(Cl)c2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ccc12 ZINC001164723674 720474161 /nfs/dbraw/zinc/47/41/61/720474161.db2.gz DBRZKVBMBORQDD-RTBURBONSA-N 1 1 399.325 4.790 20 0 GJADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858005 720983457 /nfs/dbraw/zinc/98/34/57/720983457.db2.gz GDTMRCFRKFYBOY-INIZCTEOSA-N 1 1 397.954 4.815 20 0 GJADMO Cc1ccc2ccnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164791359 721495331 /nfs/dbraw/zinc/49/53/31/721495331.db2.gz BQUBUNACIZFIAW-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO Cc1cccc2ccnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164795953 721502074 /nfs/dbraw/zinc/50/20/74/721502074.db2.gz NUAQMNWMKJVQDC-UHFFFAOYSA-N 1 1 386.543 4.819 20 0 GJADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc(F)c4n3)C[C@@H]21 ZINC001165029027 721820285 /nfs/dbraw/zinc/82/02/85/721820285.db2.gz YQOMFOLMWXTOCD-RCZSKKKRSA-N 1 1 390.506 4.506 20 0 GJADMO c1ccc(C[N@H+]2CCc3nc(N4CCCC[C@H]4c4cccnc4)ccc3C2)cc1 ZINC001165047583 721962961 /nfs/dbraw/zinc/96/29/61/721962961.db2.gz VLEIWOBLCSAZOV-DEOSSOPVSA-N 1 1 384.527 4.767 20 0 GJADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)nc1 ZINC001165050855 721993785 /nfs/dbraw/zinc/99/37/85/721993785.db2.gz BQOLCSXALSTXRR-WOJBJXKFSA-N 1 1 387.568 4.577 20 0 GJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC(OCC4CC4)C3)CC2)nc1 ZINC001164977969 722172589 /nfs/dbraw/zinc/17/25/89/722172589.db2.gz OPMKNLUHTJDKHB-JOCHJYFZSA-N 1 1 383.580 4.804 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(-c4ccccc4)nn2)C3)c1 ZINC001164995649 722194743 /nfs/dbraw/zinc/19/47/43/722194743.db2.gz WOELTJPQQFYGCW-XMMPIXPASA-N 1 1 388.490 4.528 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4c(Cl)cccc42)C3)c1 ZINC001164995573 722195711 /nfs/dbraw/zinc/19/57/11/722195711.db2.gz VMVNPSSWLAKJNB-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cnc4cc(Cl)ccc4n2)C3)c1 ZINC001164995325 722197164 /nfs/dbraw/zinc/19/71/64/722197164.db2.gz UKKPFQLOKRUCQY-QFIPXVFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cnc4ccc(Cl)cc4n2)C3)c1 ZINC001164993917 722198449 /nfs/dbraw/zinc/19/84/49/722198449.db2.gz JHAHKYXJCRHNNR-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4nccc(Cl)c4n2)C3)c1 ZINC001164995022 722206850 /nfs/dbraw/zinc/20/68/50/722206850.db2.gz KLDVKHPKMJUEQK-JOCHJYFZSA-N 1 1 396.897 4.667 20 0 GJADMO CC(C)c1c(Cl)ncnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164998778 722211872 /nfs/dbraw/zinc/21/18/72/722211872.db2.gz XRHWCPHCITUDBT-OAQYLSRUSA-N 1 1 388.918 4.637 20 0 GJADMO O=C(c1ccc2[nH]ccc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021289679 207228990 /nfs/dbraw/zinc/22/89/90/207228990.db2.gz WLQXJINLYKCUBK-UHFFFAOYSA-N 1 1 395.506 4.715 20 0 GJADMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)Nc1cc(Cl)ccc1F ZINC000071982670 222203348 /nfs/dbraw/zinc/20/33/48/222203348.db2.gz BLDDVFSYEFFOIY-OAQYLSRUSA-N 1 1 386.829 4.936 20 0 GJADMO Clc1cc(-c2ccccc2)cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725846 720380674 /nfs/dbraw/zinc/38/06/74/720380674.db2.gz NTQPYZBWZIHMBM-SFTDATJTSA-N 1 1 390.918 4.650 20 0 GJADMO Cc1ccc(-c2nc3ccccc3c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)n2)s1 ZINC001164769818 721300206 /nfs/dbraw/zinc/30/02/06/721300206.db2.gz OAEOUDGCBJFZKF-UHFFFAOYSA-N 1 1 390.556 4.589 20 0 GJADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)nc1 ZINC001164900240 721499477 /nfs/dbraw/zinc/49/94/77/721499477.db2.gz NRNLAUMDAFGFDV-MYDTUXCISA-N 1 1 383.580 4.660 20 0 GJADMO CCc1cc2c(ccnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)o1 ZINC001164797057 721503550 /nfs/dbraw/zinc/50/35/50/721503550.db2.gz YGVAVOFIIFKAMM-UHFFFAOYSA-N 1 1 390.531 4.666 20 0 GJADMO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](C(C)(C)c2ccnc(Cl)c2)C3)c1 ZINC001164804054 721601868 /nfs/dbraw/zinc/60/18/68/721601868.db2.gz WOCCOPVRFYQYFN-OFNKIYASSA-N 1 1 399.966 4.992 20 0 GJADMO Cc1cccc2ccnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165028919 721827891 /nfs/dbraw/zinc/82/78/91/721827891.db2.gz VXRVTFOCNWAZBX-MDNUFGMLSA-N 1 1 386.543 4.675 20 0 GJADMO Cc1ccc(Cl)c(O[C@@H]2CCCN(c3ccc(C[N@H+](C)C4CC4)cn3)C2)c1 ZINC001165049895 721979768 /nfs/dbraw/zinc/97/97/68/721979768.db2.gz NTEFNNWWAQUIMT-LJQANCHMSA-N 1 1 385.939 4.685 20 0 GJADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncc(Cl)cc2Cl)C3)c1 ZINC001164995350 722192005 /nfs/dbraw/zinc/19/20/05/722192005.db2.gz UWNNTGCGLFXZSP-LJQANCHMSA-N 1 1 380.294 4.772 20 0 GJADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncc(Cl)cc2Cl)C3)c1 ZINC001164995350 722192008 /nfs/dbraw/zinc/19/20/08/722192008.db2.gz UWNNTGCGLFXZSP-LJQANCHMSA-N 1 1 380.294 4.772 20 0 GJADMO