smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@H+](C)CCCC1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307592072 1070069504 /nfs/dbraw/zinc/06/95/04/1070069504.db2.gz JKHUDUVZIINFON-OAQYLSRUSA-N 1 3 452.437 3.773 20 0 JHADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307592072 1070069525 /nfs/dbraw/zinc/06/95/25/1070069525.db2.gz JKHUDUVZIINFON-OAQYLSRUSA-N 1 3 452.437 3.773 20 0 JHADHO CN1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)CC1 ZINC001308280955 1070351249 /nfs/dbraw/zinc/35/12/49/1070351249.db2.gz CBCGJNWXDZZPPT-UHFFFAOYSA-N 1 3 455.400 3.848 20 0 JHADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3c(C(=O)OC(C)(C)C)cnn3C)cc2)C[C@H]1C ZINC001308352479 1070360660 /nfs/dbraw/zinc/36/06/60/1070360660.db2.gz DNADYAWWUKZNNC-WOJBJXKFSA-N 1 3 456.631 3.674 20 0 JHADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3c(C(=O)OC(C)(C)C)cnn3C)cc2)C[C@H]1C ZINC001308352475 1070360927 /nfs/dbraw/zinc/36/09/27/1070360927.db2.gz DNADYAWWUKZNNC-BGYRXZFFSA-N 1 3 456.631 3.674 20 0 JHADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3c(C(=O)OC(C)(C)C)cnn3C)cc2)C[C@H]1C ZINC001308352475 1070360947 /nfs/dbraw/zinc/36/09/47/1070360947.db2.gz DNADYAWWUKZNNC-BGYRXZFFSA-N 1 3 456.631 3.674 20 0 JHADHO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001313447113 1070365499 /nfs/dbraw/zinc/36/54/99/1070365499.db2.gz IVMWYVXXIZHHAN-ONTIZHBOSA-N 1 3 470.662 3.756 20 0 JHADHO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001313447113 1070365514 /nfs/dbraw/zinc/36/55/14/1070365514.db2.gz IVMWYVXXIZHHAN-ONTIZHBOSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313669838 1070895487 /nfs/dbraw/zinc/89/54/87/1070895487.db2.gz DQUMOUCDAFRJJQ-NJYVYQBISA-N 1 3 451.663 3.999 20 0 JHADHO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)CC1 ZINC001313705824 1070995064 /nfs/dbraw/zinc/99/50/64/1070995064.db2.gz VLLDTCYOSOMHFM-UHFFFAOYSA-N 1 3 463.674 3.952 20 0 JHADHO CC[NH+]1CCN(c2ccc(NC(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)c(C)c2)CC1 ZINC001310018993 1071064032 /nfs/dbraw/zinc/06/40/32/1071064032.db2.gz JCCIZPGTFYTWBX-NRFANRHFSA-N 1 3 450.631 3.879 20 0 JHADHO CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CC(C)C)CC1)CCC(F)(F)F ZINC001313807646 1071229298 /nfs/dbraw/zinc/22/92/98/1071229298.db2.gz UIOYDTGKSQQVOQ-UHFFFAOYSA-N 1 3 496.578 3.726 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313859338 1071363655 /nfs/dbraw/zinc/36/36/55/1071363655.db2.gz GABJVPTUNUCMDZ-MOPGFXCFSA-N 1 3 492.615 3.576 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001313871102 1071415783 /nfs/dbraw/zinc/41/57/83/1071415783.db2.gz WWGLXJFHSRIYGL-NHCUHLMSSA-N 1 3 451.663 3.788 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313871560 1071417341 /nfs/dbraw/zinc/41/73/41/1071417341.db2.gz UKPLFYBWCMWGRR-MSOLQXFVSA-N 1 3 479.044 3.767 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313874471 1071428853 /nfs/dbraw/zinc/42/88/53/1071428853.db2.gz IARCCWFNDZDACS-UFPGJGBJSA-N 1 3 486.730 3.830 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313874844 1071431365 /nfs/dbraw/zinc/43/13/65/1071431365.db2.gz OFRNEIQPUDGUOO-ZRBLBEILSA-N 1 3 461.658 3.703 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313874844 1071431372 /nfs/dbraw/zinc/43/13/72/1071431372.db2.gz OFRNEIQPUDGUOO-ZRBLBEILSA-N 1 3 461.658 3.703 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313875971 1071436906 /nfs/dbraw/zinc/43/69/06/1071436906.db2.gz NFXCDJLVQMZGNC-ZFGGDYGUSA-N 1 3 454.663 3.733 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313875968 1071436737 /nfs/dbraw/zinc/43/67/37/1071436737.db2.gz NFXCDJLVQMZGNC-AWRGLXIESA-N 1 3 454.663 3.733 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313875969 1071436807 /nfs/dbraw/zinc/43/68/07/1071436807.db2.gz NFXCDJLVQMZGNC-DPLHUUCSSA-N 1 3 454.663 3.733 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313877373 1071441727 /nfs/dbraw/zinc/44/17/27/1071441727.db2.gz STQYYKWQZPDFEH-DPLHUUCSSA-N 1 3 468.690 3.917 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313877373 1071441732 /nfs/dbraw/zinc/44/17/32/1071441732.db2.gz STQYYKWQZPDFEH-DPLHUUCSSA-N 1 3 468.690 3.917 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313886350 1071470891 /nfs/dbraw/zinc/47/08/91/1071470891.db2.gz SDDBZHKJBWINMZ-FGZHOGPDSA-N 1 3 470.662 3.517 20 0 JHADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001313944719 1071625024 /nfs/dbraw/zinc/62/50/24/1071625024.db2.gz GECWDWQRPGMCRW-HSZRJFAPSA-N 1 3 474.097 3.545 20 0 JHADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001313944719 1071625026 /nfs/dbraw/zinc/62/50/26/1071625026.db2.gz GECWDWQRPGMCRW-HSZRJFAPSA-N 1 3 474.097 3.545 20 0 JHADHO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)cc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745200 720850320 /nfs/dbraw/zinc/85/03/20/720850320.db2.gz MPJPVXWGDVUPTB-SONWIMMPSA-N 1 3 457.626 3.806 20 0 JHADHO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)cc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745200 720850322 /nfs/dbraw/zinc/85/03/22/720850322.db2.gz MPJPVXWGDVUPTB-SONWIMMPSA-N 1 3 457.626 3.806 20 0 JHADHO CCOC(=O)c1c[nH]c2cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)[nH+]cc12 ZINC001164906189 721722083 /nfs/dbraw/zinc/72/20/83/721722083.db2.gz KRVFNAJODFAJFQ-HSZRJFAPSA-N 1 3 455.509 3.872 20 0 JHADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CCN1CCOC ZINC001306633427 1069336524 /nfs/dbraw/zinc/33/65/24/1069336524.db2.gz BMWAYSZNOHNAEL-OLKYXYMISA-N 1 3 490.737 3.618 20 0 JHADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CCN1CCOC ZINC001306633427 1069336538 /nfs/dbraw/zinc/33/65/38/1069336538.db2.gz BMWAYSZNOHNAEL-OLKYXYMISA-N 1 3 490.737 3.618 20 0 JHADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001306784909 1069585942 /nfs/dbraw/zinc/58/59/42/1069585942.db2.gz OZQXIQXEJZSQOA-PZJWPPBQSA-N 1 3 453.660 3.873 20 0 JHADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001306784909 1069585954 /nfs/dbraw/zinc/58/59/54/1069585954.db2.gz OZQXIQXEJZSQOA-PZJWPPBQSA-N 1 3 453.660 3.873 20 0 JHADHO CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306808455 1069625053 /nfs/dbraw/zinc/62/50/53/1069625053.db2.gz MDWIKRFYRBTZRM-YSFYHYPLSA-N 1 3 491.725 3.700 20 0 JHADHO CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306808455 1069625060 /nfs/dbraw/zinc/62/50/60/1069625060.db2.gz MDWIKRFYRBTZRM-YSFYHYPLSA-N 1 3 491.725 3.700 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(CCN(C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046960 1069787321 /nfs/dbraw/zinc/78/73/21/1069787321.db2.gz OVMTWVXYIOFFDH-VWLOTQADSA-N 1 3 481.733 3.562 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(CCN(C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046960 1069787336 /nfs/dbraw/zinc/78/73/36/1069787336.db2.gz OVMTWVXYIOFFDH-VWLOTQADSA-N 1 3 481.733 3.562 20 0 JHADHO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001307057639 1069835563 /nfs/dbraw/zinc/83/55/63/1069835563.db2.gz WLUDQDXIYXEUEC-VWNXMTODSA-N 1 3 454.663 3.786 20 0 JHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001312500282 1069975904 /nfs/dbraw/zinc/97/59/04/1069975904.db2.gz OTBVIVXBZYJCAB-AZGAKELHSA-N 1 3 458.691 3.862 20 0 JHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC001312500282 1069975916 /nfs/dbraw/zinc/97/59/16/1069975916.db2.gz OTBVIVXBZYJCAB-AZGAKELHSA-N 1 3 458.691 3.862 20 0 JHADHO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccsc1 ZINC001313666868 1070887033 /nfs/dbraw/zinc/88/70/33/1070887033.db2.gz YFKLZLUBSOLJGK-NKKJXINNSA-N 1 3 484.718 3.984 20 0 JHADHO CC[NH+](CC)[C@H](Cn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676777 1070922830 /nfs/dbraw/zinc/92/28/30/1070922830.db2.gz ZJRQPECLVCLYBJ-XMMPIXPASA-N 1 3 468.690 3.960 20 0 JHADHO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 ZINC001313677416 1070925291 /nfs/dbraw/zinc/92/52/91/1070925291.db2.gz KFBVFHUGNQCBPO-BJKOFHAPSA-N 1 3 454.663 3.643 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2C[NH+](CC)CC)C[C@@H]1C ZINC001313703826 1070988504 /nfs/dbraw/zinc/98/85/04/1070988504.db2.gz GSDXLVHHKNZMHF-AWRGLXIESA-N 1 3 454.663 3.591 20 0 JHADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313704017 1070989260 /nfs/dbraw/zinc/98/92/60/1070989260.db2.gz KYYHLDXUKWPJSX-VWLOTQADSA-N 1 3 495.716 3.537 20 0 JHADHO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC001313712221 1071008101 /nfs/dbraw/zinc/00/81/01/1071008101.db2.gz KZOQGOVRIRWNHZ-UHFFFAOYSA-N 1 3 475.479 3.972 20 0 JHADHO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313715400 1071014104 /nfs/dbraw/zinc/01/41/04/1071014104.db2.gz ATCDOGUFTPNRMR-FQEVSTJZSA-N 1 3 490.643 3.569 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313860451 1071370284 /nfs/dbraw/zinc/37/02/84/1071370284.db2.gz KZOGXBKBQQOQIF-URVUXULASA-N 1 3 472.678 3.858 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313868651 1071405397 /nfs/dbraw/zinc/40/53/97/1071405397.db2.gz VPXQMRSJRIMKNL-SCPDWHHUSA-N 1 3 453.679 3.935 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313874279 1071427946 /nfs/dbraw/zinc/42/79/46/1071427946.db2.gz OLDXICNOYCZGHE-FUPPJEDESA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313873623 1071425758 /nfs/dbraw/zinc/42/57/58/1071425758.db2.gz MOUCJIBBNPLHOL-UXHICEINSA-N 1 3 472.703 3.700 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313879267 1071449519 /nfs/dbraw/zinc/44/95/19/1071449519.db2.gz ZSNWATMVZIYPGK-FUPPJEDESA-N 1 3 454.663 3.671 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313879267 1071449524 /nfs/dbraw/zinc/44/95/24/1071449524.db2.gz ZSNWATMVZIYPGK-FUPPJEDESA-N 1 3 454.663 3.671 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919437 1071556937 /nfs/dbraw/zinc/55/69/37/1071556937.db2.gz BMIHBPFGFYRTGF-RPWUZVMVSA-N 1 3 473.754 3.908 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919437 1071556947 /nfs/dbraw/zinc/55/69/47/1071556947.db2.gz BMIHBPFGFYRTGF-RPWUZVMVSA-N 1 3 473.754 3.908 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933178 1071597271 /nfs/dbraw/zinc/59/72/71/1071597271.db2.gz YFCYAQCOBCXBEM-JWQCQUIFSA-N 1 3 487.781 3.841 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CC[NH+](C)CC2)CCN1CCOC ZINC001306620436 1069306425 /nfs/dbraw/zinc/30/64/25/1069306425.db2.gz OYUCXSMAACWVCF-OAQYLSRUSA-N 1 3 490.718 3.611 20 0 JHADHO CC(C)n1nc(CN(c2nccs2)c2cccc(OCC[NH+]3CCCC3)n2)c2c1CNCC2 ZINC001164710773 720091595 /nfs/dbraw/zinc/09/15/95/720091595.db2.gz MIOPEFUOORIJKI-UHFFFAOYSA-N 1 3 467.643 3.774 20 0 JHADHO Clc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)CNCC2 ZINC001164754999 720905816 /nfs/dbraw/zinc/90/58/16/720905816.db2.gz XSXLKROCEWDVAR-LVXARBLLSA-N 1 3 468.045 3.531 20 0 JHADHO Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)CNCC2 ZINC001164754999 720905823 /nfs/dbraw/zinc/90/58/23/720905823.db2.gz XSXLKROCEWDVAR-LVXARBLLSA-N 1 3 468.045 3.531 20 0 JHADHO CN(Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754608 720919081 /nfs/dbraw/zinc/91/90/81/720919081.db2.gz WEHLQFFUVHHLJD-NAKRPHOHSA-N 1 3 461.654 3.826 20 0 JHADHO CN(Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754608 720919096 /nfs/dbraw/zinc/91/90/96/720919096.db2.gz WEHLQFFUVHHLJD-NAKRPHOHSA-N 1 3 461.654 3.826 20 0 JHADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)CCN1CCOC ZINC001306633424 1069336329 /nfs/dbraw/zinc/33/63/29/1069336329.db2.gz BMWAYSZNOHNAEL-MOUTVQLLSA-N 1 3 490.737 3.618 20 0 JHADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)CCN1CCOC ZINC001306633424 1069336341 /nfs/dbraw/zinc/33/63/41/1069336341.db2.gz BMWAYSZNOHNAEL-MOUTVQLLSA-N 1 3 490.737 3.618 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357382 1069341017 /nfs/dbraw/zinc/34/10/17/1069341017.db2.gz HHBJBCYMGXGGTH-OZXSUGGESA-N 1 3 455.691 3.620 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357382 1069341031 /nfs/dbraw/zinc/34/10/31/1069341031.db2.gz HHBJBCYMGXGGTH-OZXSUGGESA-N 1 3 455.691 3.620 20 0 JHADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001311379591 1069352965 /nfs/dbraw/zinc/35/29/65/1069352965.db2.gz DGGRXBRHOZORLW-ZEQRLZLVSA-N 1 3 455.691 3.849 20 0 JHADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001311379591 1069352978 /nfs/dbraw/zinc/35/29/78/1069352978.db2.gz DGGRXBRHOZORLW-ZEQRLZLVSA-N 1 3 455.691 3.849 20 0 JHADHO CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001306681228 1069410059 /nfs/dbraw/zinc/41/00/59/1069410059.db2.gz UIIBZNRQGZPLRZ-QFIPXVFZSA-N 1 3 461.743 3.550 20 0 JHADHO CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001306681228 1069410064 /nfs/dbraw/zinc/41/00/64/1069410064.db2.gz UIIBZNRQGZPLRZ-QFIPXVFZSA-N 1 3 461.743 3.550 20 0 JHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001312754889 1070105156 /nfs/dbraw/zinc/10/51/56/1070105156.db2.gz YXENQEYJMHLWER-HNNXBMFYSA-N 1 3 459.860 3.705 20 0 JHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001312754889 1070105161 /nfs/dbraw/zinc/10/51/61/1070105161.db2.gz YXENQEYJMHLWER-HNNXBMFYSA-N 1 3 459.860 3.705 20 0 JHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001312887214 1070167988 /nfs/dbraw/zinc/16/79/88/1070167988.db2.gz ZRPLLINUPQSGRB-KWXIBIRDSA-N 1 3 464.654 3.877 20 0 JHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001312887214 1070167992 /nfs/dbraw/zinc/16/79/92/1070167992.db2.gz ZRPLLINUPQSGRB-KWXIBIRDSA-N 1 3 464.654 3.877 20 0 JHADHO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001307886319 1070225769 /nfs/dbraw/zinc/22/57/69/1070225769.db2.gz QSTMDKFTJZRZNG-VWNXMTODSA-N 1 3 455.643 3.555 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC001309294747 1070676669 /nfs/dbraw/zinc/67/66/69/1070676669.db2.gz KREFNUPIOOLHQK-IEZKXTBUSA-N 1 3 457.684 3.859 20 0 JHADHO C[N@H+](CCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314855642 1071237010 /nfs/dbraw/zinc/23/70/10/1071237010.db2.gz UFZGMVCZZHKBCZ-UHFFFAOYSA-N 1 3 460.711 3.779 20 0 JHADHO C[N@@H+](CCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314855642 1071237023 /nfs/dbraw/zinc/23/70/23/1071237023.db2.gz UFZGMVCZZHKBCZ-UHFFFAOYSA-N 1 3 460.711 3.779 20 0 JHADHO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810755 1071242612 /nfs/dbraw/zinc/24/26/12/1071242612.db2.gz WQTYPIXGKNMOHG-WMZOPIPTSA-N 1 3 485.986 3.941 20 0 JHADHO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810755 1071242617 /nfs/dbraw/zinc/24/26/17/1071242617.db2.gz WQTYPIXGKNMOHG-WMZOPIPTSA-N 1 3 485.986 3.941 20 0 JHADHO CC[N@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818915 1071270395 /nfs/dbraw/zinc/27/03/95/1071270395.db2.gz SVDBAAVEVXKAFA-NRFANRHFSA-N 1 3 489.108 3.942 20 0 JHADHO CC[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818915 1071270407 /nfs/dbraw/zinc/27/04/07/1071270407.db2.gz SVDBAAVEVXKAFA-NRFANRHFSA-N 1 3 489.108 3.942 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@H]1C ZINC001313859157 1071362497 /nfs/dbraw/zinc/36/24/97/1071362497.db2.gz DYDLSGZBKVTIQQ-ZRCGQRJVSA-N 1 3 475.081 3.754 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1C ZINC001313859157 1071362507 /nfs/dbraw/zinc/36/25/07/1071362507.db2.gz DYDLSGZBKVTIQQ-ZRCGQRJVSA-N 1 3 475.081 3.754 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313860249 1071368392 /nfs/dbraw/zinc/36/83/92/1071368392.db2.gz NBFLVXHJUXSLQB-VXKWHMMOSA-N 1 3 481.689 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313860249 1071368407 /nfs/dbraw/zinc/36/84/07/1071368407.db2.gz NBFLVXHJUXSLQB-VXKWHMMOSA-N 1 3 481.689 3.941 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313860415 1071369987 /nfs/dbraw/zinc/36/99/87/1071369987.db2.gz KLOQBJMFFYMBKL-QHAWAJNXSA-N 1 3 464.662 3.984 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313868076 1071402632 /nfs/dbraw/zinc/40/26/32/1071402632.db2.gz AIBAVMRTTNXGEJ-WATLYSKOSA-N 1 3 456.704 3.534 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313873704 1071425714 /nfs/dbraw/zinc/42/57/14/1071425714.db2.gz LPHVIGYVIUDNNS-HWBMXIPRSA-N 1 3 461.658 3.794 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313873620 1071425739 /nfs/dbraw/zinc/42/57/39/1071425739.db2.gz MOFQCGGIJNJFSI-PCCBWWKXSA-N 1 3 458.626 3.504 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313873620 1071425743 /nfs/dbraw/zinc/42/57/43/1071425743.db2.gz MOFQCGGIJNJFSI-PCCBWWKXSA-N 1 3 458.626 3.504 20 0 JHADHO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493759 1071433514 /nfs/dbraw/zinc/43/35/14/1071433514.db2.gz KZOFYVURUSLSCY-ISJGIBHGSA-N 1 3 458.647 3.529 20 0 JHADHO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493759 1071433518 /nfs/dbraw/zinc/43/35/18/1071433518.db2.gz KZOFYVURUSLSCY-ISJGIBHGSA-N 1 3 458.647 3.529 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001313878799 1071446005 /nfs/dbraw/zinc/44/60/05/1071446005.db2.gz VTSRGOGCBCVFDN-XZOQPEGZSA-N 1 3 454.663 3.960 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313879147 1071447528 /nfs/dbraw/zinc/44/75/28/1071447528.db2.gz YHFMGGLTOOSOFB-UFPGJGBJSA-N 1 3 486.730 3.830 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313879269 1071449433 /nfs/dbraw/zinc/44/94/33/1071449433.db2.gz ZSNWATMVZIYPGK-QNWVGRARSA-N 1 3 454.663 3.671 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313879269 1071449441 /nfs/dbraw/zinc/44/94/41/1071449441.db2.gz ZSNWATMVZIYPGK-QNWVGRARSA-N 1 3 454.663 3.671 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001313881756 1071456056 /nfs/dbraw/zinc/45/60/56/1071456056.db2.gz CRJICTLTBFNOAJ-IIZPIQPGSA-N 1 3 489.709 3.752 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001313881756 1071456061 /nfs/dbraw/zinc/45/60/61/1071456061.db2.gz CRJICTLTBFNOAJ-IIZPIQPGSA-N 1 3 489.709 3.752 20 0 JHADHO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313911961 1071538953 /nfs/dbraw/zinc/53/89/53/1071538953.db2.gz GCYWBQLCDHKMPN-OAQYLSRUSA-N 1 3 470.662 3.661 20 0 JHADHO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313911961 1071538960 /nfs/dbraw/zinc/53/89/60/1071538960.db2.gz GCYWBQLCDHKMPN-OAQYLSRUSA-N 1 3 470.662 3.661 20 0 JHADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(OCc2ccccc2)c1 ZINC001310581819 1069029321 /nfs/dbraw/zinc/02/93/21/1069029321.db2.gz FJMKQXVONXWOSV-UHFFFAOYSA-N 1 3 452.599 3.954 20 0 JHADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C1 ZINC001310746170 1069148139 /nfs/dbraw/zinc/14/81/39/1069148139.db2.gz RQQNABOMZNUONA-FQEVSTJZSA-N 1 3 453.027 3.778 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CCN1CCOC ZINC001306620518 1069306208 /nfs/dbraw/zinc/30/62/08/1069306208.db2.gz PTLTUNUSGUWVLK-HSZRJFAPSA-N 1 3 473.065 3.798 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CCN1CCOC ZINC001306620518 1069306228 /nfs/dbraw/zinc/30/62/28/1069306228.db2.gz PTLTUNUSGUWVLK-HSZRJFAPSA-N 1 3 473.065 3.798 20 0 JHADHO CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)CC1 ZINC001164617948 719036072 /nfs/dbraw/zinc/03/60/72/719036072.db2.gz QCOJFLBIUJOTDU-UHFFFAOYSA-N 1 3 483.003 3.901 20 0 JHADHO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164747355 720908751 /nfs/dbraw/zinc/90/87/51/720908751.db2.gz CTBYEPYGHKFFMX-IAPPQJPRSA-N 1 3 461.654 3.828 20 0 JHADHO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164747355 720908762 /nfs/dbraw/zinc/90/87/62/720908762.db2.gz CTBYEPYGHKFFMX-IAPPQJPRSA-N 1 3 461.654 3.828 20 0 JHADHO CN(Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754607 720918461 /nfs/dbraw/zinc/91/84/61/720918461.db2.gz WEHLQFFUVHHLJD-LSYYVWMOSA-N 1 3 461.654 3.826 20 0 JHADHO CN(Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754607 720918472 /nfs/dbraw/zinc/91/84/72/720918472.db2.gz WEHLQFFUVHHLJD-LSYYVWMOSA-N 1 3 461.654 3.826 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCC2)CCN1CCOC ZINC001306647904 1069360515 /nfs/dbraw/zinc/36/05/15/1069360515.db2.gz QJBNMSDQMJGVCT-HXUWFJFHSA-N 1 3 458.626 3.506 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001307053971 1069814611 /nfs/dbraw/zinc/81/46/11/1069814611.db2.gz JNTVOJVQRQPQJC-VXNXHJTFSA-N 1 3 459.727 3.661 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001307053971 1069814633 /nfs/dbraw/zinc/81/46/33/1069814633.db2.gz JNTVOJVQRQPQJC-VXNXHJTFSA-N 1 3 459.727 3.661 20 0 JHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750285 1070165948 /nfs/dbraw/zinc/16/59/48/1070165948.db2.gz HTVSDFWFVFHBTJ-OAQYLSRUSA-N 1 3 458.647 3.688 20 0 JHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750285 1070165952 /nfs/dbraw/zinc/16/59/52/1070165952.db2.gz HTVSDFWFVFHBTJ-OAQYLSRUSA-N 1 3 458.647 3.688 20 0 JHADHO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001313447115 1070365581 /nfs/dbraw/zinc/36/55/81/1070365581.db2.gz IVMWYVXXIZHHAN-SJBKTWHCSA-N 1 3 470.662 3.756 20 0 JHADHO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001313447115 1070365598 /nfs/dbraw/zinc/36/55/98/1070365598.db2.gz IVMWYVXXIZHHAN-SJBKTWHCSA-N 1 3 470.662 3.756 20 0 JHADHO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309255605 1070648178 /nfs/dbraw/zinc/64/81/78/1070648178.db2.gz XZPZHSDBHLLUKW-DSNGMDLFSA-N 1 3 459.631 3.540 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001313693513 1070954714 /nfs/dbraw/zinc/95/47/14/1070954714.db2.gz AKJTWRQIRXXERM-NZQKXSOJSA-N 1 3 458.626 3.535 20 0 JHADHO CC[NH+](CC)Cc1cccc(Cn2c(N3CCN(C4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313704122 1070989700 /nfs/dbraw/zinc/98/97/00/1070989700.db2.gz VTKUOJMNRCOLLT-UHFFFAOYSA-N 1 3 468.690 3.767 20 0 JHADHO CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCC[NH+](CC)CC)C2)CC1 ZINC001313712666 1071009540 /nfs/dbraw/zinc/00/95/40/1071009540.db2.gz RIEUENMRYGDDRI-NRFANRHFSA-N 1 3 492.087 3.686 20 0 JHADHO O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001310172450 1071178580 /nfs/dbraw/zinc/17/85/80/1071178580.db2.gz SMRDUINLILSTCT-UHFFFAOYSA-N 1 3 450.627 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313858900 1071361064 /nfs/dbraw/zinc/36/10/64/1071361064.db2.gz CKMLAXMGZQIIQW-HKBOAZHASA-N 1 3 458.626 3.962 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313859782 1071365452 /nfs/dbraw/zinc/36/54/52/1071365452.db2.gz ICAOYHHSNOYUQK-AOHZBQACSA-N 1 3 498.716 3.801 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313868074 1071402667 /nfs/dbraw/zinc/40/26/67/1071402667.db2.gz AIBAVMRTTNXGEJ-STWLZBDKSA-N 1 3 456.704 3.534 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313871796 1071418316 /nfs/dbraw/zinc/41/83/16/1071418316.db2.gz HNXWSSFPTGETSG-FUDKSRODSA-N 1 3 456.679 3.773 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313874281 1071427866 /nfs/dbraw/zinc/42/78/66/1071427866.db2.gz OLDXICNOYCZGHE-QNWVGRARSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313873625 1071425593 /nfs/dbraw/zinc/42/55/93/1071425593.db2.gz MOUCJIBBNPLHOL-WOJBJXKFSA-N 1 3 472.703 3.700 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313879145 1071447698 /nfs/dbraw/zinc/44/76/98/1071447698.db2.gz YHFMGGLTOOSOFB-MCEYFSPLSA-N 1 3 486.730 3.830 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001313881758 1071455994 /nfs/dbraw/zinc/45/59/94/1071455994.db2.gz CRJICTLTBFNOAJ-XWUOBKMESA-N 1 3 489.709 3.752 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001313881758 1071456001 /nfs/dbraw/zinc/45/60/01/1071456001.db2.gz CRJICTLTBFNOAJ-XWUOBKMESA-N 1 3 489.709 3.752 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313933272 1071597934 /nfs/dbraw/zinc/59/79/34/1071597934.db2.gz YLQNWOLPBOMAGH-QFIPXVFZSA-N 1 3 459.727 3.520 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933186 1071597989 /nfs/dbraw/zinc/59/79/89/1071597989.db2.gz YFCYAQCOBCXBEM-RPBOFIJWSA-N 1 3 487.781 3.841 20 0 JHADHO CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001313945544 1071626828 /nfs/dbraw/zinc/62/68/28/1071626828.db2.gz QGDFVGQQDKOTFF-FQEVSTJZSA-N 1 3 492.087 3.542 20 0 JHADHO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)CCN1CCOC ZINC001306618305 1069301107 /nfs/dbraw/zinc/30/11/07/1069301107.db2.gz ONTVQYROOTXKHX-QHCPKHFHSA-N 1 3 456.679 3.623 20 0 JHADHO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3CN3CCCC3)CC2)c2ccccc21 ZINC001164685509 719683361 /nfs/dbraw/zinc/68/33/61/719683361.db2.gz KWQCXXUWIABEGG-DEOSSOPVSA-N 1 3 475.681 3.771 20 0 JHADHO CN(Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754606 720919914 /nfs/dbraw/zinc/91/99/14/720919914.db2.gz WEHLQFFUVHHLJD-LEAFIULHSA-N 1 3 461.654 3.826 20 0 JHADHO CN(Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754606 720919924 /nfs/dbraw/zinc/91/99/24/720919924.db2.gz WEHLQFFUVHHLJD-LEAFIULHSA-N 1 3 461.654 3.826 20 0 JHADHO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973123 722158285 /nfs/dbraw/zinc/15/82/85/722158285.db2.gz LHIPJFNMJZWIRM-NZQKXSOJSA-N 1 3 489.998 3.779 20 0 JHADHO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306726018 1069467741 /nfs/dbraw/zinc/46/77/41/1069467741.db2.gz JFAZMYGIAUQPJQ-CQOQZXRMSA-N 1 3 453.679 3.837 20 0 JHADHO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306726018 1069467745 /nfs/dbraw/zinc/46/77/45/1069467745.db2.gz JFAZMYGIAUQPJQ-CQOQZXRMSA-N 1 3 453.679 3.837 20 0 JHADHO CCC[NH+]1CCC(Cn2c(-c3ccccc3OC)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001307037359 1069758439 /nfs/dbraw/zinc/75/84/39/1069758439.db2.gz BVIZNEDEZRNOMY-UHFFFAOYSA-N 1 3 454.663 3.854 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001307039894 1069765250 /nfs/dbraw/zinc/76/52/50/1069765250.db2.gz GFNPIPXDJHVMEE-QFIPXVFZSA-N 1 3 453.679 3.554 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001307039894 1069765264 /nfs/dbraw/zinc/76/52/64/1069765264.db2.gz GFNPIPXDJHVMEE-QFIPXVFZSA-N 1 3 453.679 3.554 20 0 JHADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001307057636 1069833894 /nfs/dbraw/zinc/83/38/94/1069833894.db2.gz WLUDQDXIYXEUEC-UPVQGACJSA-N 1 3 454.663 3.786 20 0 JHADHO NC(=O)c1ccc(NC(=O)CCN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1Cl ZINC001307515369 1070028928 /nfs/dbraw/zinc/02/89/28/1070028928.db2.gz SREZDTJWPKDVRK-VWLOTQADSA-N 1 3 455.002 3.756 20 0 JHADHO NC(=O)c1ccc(NC(=O)CCN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1Cl ZINC001307515369 1070028943 /nfs/dbraw/zinc/02/89/43/1070028943.db2.gz SREZDTJWPKDVRK-VWLOTQADSA-N 1 3 455.002 3.756 20 0 JHADHO CC(=O)Nc1ccc(CN2CCC(NC(=O)N(CC(C)C)CC3CC[NH+](C)CC3)CC2)cc1 ZINC001312722012 1070093787 /nfs/dbraw/zinc/09/37/87/1070093787.db2.gz WEIYRZROGCXTCP-UHFFFAOYSA-N 1 3 457.663 3.619 20 0 JHADHO CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314384926 1070230076 /nfs/dbraw/zinc/23/00/76/1070230076.db2.gz LKYZXYULVNFTNG-HSZRJFAPSA-N 1 3 454.663 3.646 20 0 JHADHO CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001314384926 1070230089 /nfs/dbraw/zinc/23/00/89/1070230089.db2.gz LKYZXYULVNFTNG-HSZRJFAPSA-N 1 3 454.663 3.646 20 0 JHADHO CCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313501256 1070524773 /nfs/dbraw/zinc/52/47/73/1070524773.db2.gz CUTDJHUNNBIAPW-FCHUYYIVSA-N 1 3 482.673 3.923 20 0 JHADHO CCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001313501256 1070524780 /nfs/dbraw/zinc/52/47/80/1070524780.db2.gz CUTDJHUNNBIAPW-FCHUYYIVSA-N 1 3 482.673 3.923 20 0 JHADHO CN(c1nnc(C(C)(C)C)n1CC1([NH+](C)C)CCCCC1)C1CCN(CCn2cccn2)CC1 ZINC001314678292 1070825308 /nfs/dbraw/zinc/82/53/08/1070825308.db2.gz QOIKGNLWEGDFAQ-UHFFFAOYSA-N 1 3 470.710 3.637 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001313695031 1070958786 /nfs/dbraw/zinc/95/87/86/1070958786.db2.gz ZXVJZKGPPAALGN-QFIPXVFZSA-N 1 3 467.687 3.939 20 0 JHADHO CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001313720910 1071022245 /nfs/dbraw/zinc/02/22/45/1071022245.db2.gz URNVYIRZCPGTLQ-GMKZXUHWSA-N 1 3 490.737 3.618 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313860414 1071368972 /nfs/dbraw/zinc/36/89/72/1071368972.db2.gz KLOQBJMFFYMBKL-NJYVYQBISA-N 1 3 464.662 3.984 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001313860419 1071369906 /nfs/dbraw/zinc/36/99/06/1071369906.db2.gz KLUFOHYZMCUVHS-ZNMIVQPWSA-N 1 3 455.470 3.638 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868182 1071403360 /nfs/dbraw/zinc/40/33/60/1071403360.db2.gz BEFUIMVTJQBMEX-XZOQPEGZSA-N 1 3 461.658 3.705 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868182 1071403364 /nfs/dbraw/zinc/40/33/64/1071403364.db2.gz BEFUIMVTJQBMEX-XZOQPEGZSA-N 1 3 461.658 3.705 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313868647 1071405443 /nfs/dbraw/zinc/40/54/43/1071405443.db2.gz VPXQMRSJRIMKNL-MQFRRQCYSA-N 1 3 453.679 3.935 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313868647 1071405455 /nfs/dbraw/zinc/40/54/55/1071405455.db2.gz VPXQMRSJRIMKNL-MQFRRQCYSA-N 1 3 453.679 3.935 20 0 JHADHO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313869744 1071410412 /nfs/dbraw/zinc/41/04/12/1071410412.db2.gz QMHYSPYLSAGYKJ-QTEQDKRBSA-N 1 3 475.081 3.874 20 0 JHADHO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313869744 1071410416 /nfs/dbraw/zinc/41/04/16/1071410416.db2.gz QMHYSPYLSAGYKJ-QTEQDKRBSA-N 1 3 475.081 3.874 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313869256 1071408392 /nfs/dbraw/zinc/40/83/92/1071408392.db2.gz OZMIZEATOHFJLS-ZSXJVMONSA-N 1 3 460.711 3.849 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313873226 1071424735 /nfs/dbraw/zinc/42/47/35/1071424735.db2.gz KIAQLTWJTKFHJP-LUKWVAJMSA-N 1 3 467.706 3.939 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927397 1071580067 /nfs/dbraw/zinc/58/00/67/1071580067.db2.gz KIZHCOOYKXXANZ-BJKOFHAPSA-N 1 3 481.733 3.702 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927397 1071580070 /nfs/dbraw/zinc/58/00/70/1071580070.db2.gz KIZHCOOYKXXANZ-BJKOFHAPSA-N 1 3 481.733 3.702 20 0 JHADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001313944461 1071624858 /nfs/dbraw/zinc/62/48/58/1071624858.db2.gz CDELGQCEFBASKS-NFBKMPQASA-N 1 3 474.097 3.545 20 0 JHADHO CCN1CCN(C[C@H](C)Cn2c(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951301 1071641857 /nfs/dbraw/zinc/64/18/57/1071641857.db2.gz FJCJXNKNSKDOMR-AZGAKELHSA-N 1 3 495.760 3.808 20 0 JHADHO CCN1CCN(C[C@H](C)Cn2c(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951301 1071641861 /nfs/dbraw/zinc/64/18/61/1071641861.db2.gz FJCJXNKNSKDOMR-AZGAKELHSA-N 1 3 495.760 3.808 20 0 JHADHO CCC[C@H]1CN(c2nnc(C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1CCOC ZINC001306619701 1069304230 /nfs/dbraw/zinc/30/42/30/1069304230.db2.gz ZOWQMPRMYTWEHV-VWLOTQADSA-N 1 3 454.663 3.558 20 0 JHADHO [NH3+]CC1(F)CCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)CC1 ZINC001164392386 718812886 /nfs/dbraw/zinc/81/28/86/718812886.db2.gz MKDRKULLMJSGNC-UHFFFAOYSA-N 1 3 458.965 3.664 20 0 JHADHO c1cncc(CN(c2ccc3nc(C4CC[NH2+]CC4)nn3c2)c2ccc(CN3CCCC3)cn2)c1 ZINC001164636601 719138871 /nfs/dbraw/zinc/13/88/71/719138871.db2.gz ZHBSEFJLSWTHEN-UHFFFAOYSA-N 1 3 468.609 3.920 20 0 JHADHO CN(Cc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1)C1CC1 ZINC001164681920 719679337 /nfs/dbraw/zinc/67/93/37/719679337.db2.gz OKSBTXHYBISODX-HSZRJFAPSA-N 1 3 475.681 3.769 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306648481 1069360340 /nfs/dbraw/zinc/36/03/40/1069360340.db2.gz RHJXYLLWMUEIRN-ISKFKSNPSA-N 1 3 468.690 3.923 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306648481 1069360353 /nfs/dbraw/zinc/36/03/53/1069360353.db2.gz RHJXYLLWMUEIRN-ISKFKSNPSA-N 1 3 468.690 3.923 20 0 JHADHO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306722424 1069460453 /nfs/dbraw/zinc/46/04/53/1069460453.db2.gz LBGBZFBDJMYINL-SMIHKQSGSA-N 1 3 459.727 3.662 20 0 JHADHO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306722424 1069460460 /nfs/dbraw/zinc/46/04/60/1069460460.db2.gz LBGBZFBDJMYINL-SMIHKQSGSA-N 1 3 459.727 3.662 20 0 JHADHO CCC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001307041979 1069770790 /nfs/dbraw/zinc/77/07/90/1069770790.db2.gz ODJPYXKNOISPCT-UHFFFAOYSA-N 1 3 452.691 3.963 20 0 JHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001307594553 1070070775 /nfs/dbraw/zinc/07/07/75/1070070775.db2.gz WHOUNLXRHUBRDW-BQQUOAEZSA-N 1 3 453.602 3.883 20 0 JHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@H](C)C1 ZINC001307707959 1070137881 /nfs/dbraw/zinc/13/78/81/1070137881.db2.gz RHYCBKURIALTLY-BVYCBKJFSA-N 1 3 455.565 3.923 20 0 JHADHO CCOCc1nnc(N2CCN(CC(C)C)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001314397134 1070256403 /nfs/dbraw/zinc/25/64/03/1070256403.db2.gz ZVGUFKPQEDMACI-UHFFFAOYSA-N 1 3 460.692 3.566 20 0 JHADHO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001313447119 1070365309 /nfs/dbraw/zinc/36/53/09/1070365309.db2.gz IVMWYVXXIZHHAN-VWPQPMDRSA-N 1 3 470.662 3.756 20 0 JHADHO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001313447119 1070365329 /nfs/dbraw/zinc/36/53/29/1070365329.db2.gz IVMWYVXXIZHHAN-VWPQPMDRSA-N 1 3 470.662 3.756 20 0 JHADHO C[NH+](C)C1(Cn2c(Cc3ccccc3F)nnc2N2CCN(CCC(C)(C)C)CC2)CCOCC1 ZINC001314659816 1070782842 /nfs/dbraw/zinc/78/28/42/1070782842.db2.gz QMKZFOWSSFOBQU-UHFFFAOYSA-N 1 3 486.680 3.677 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001309571881 1070864775 /nfs/dbraw/zinc/86/47/75/1070864775.db2.gz TUNGSEVQNQXVHX-AYRHNUGRSA-N 1 3 455.668 3.614 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001309571881 1070864794 /nfs/dbraw/zinc/86/47/94/1070864794.db2.gz TUNGSEVQNQXVHX-AYRHNUGRSA-N 1 3 455.668 3.614 20 0 JHADHO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)(C)C)CC1)c1ccsc1 ZINC001313675203 1070915189 /nfs/dbraw/zinc/91/51/89/1070915189.db2.gz YALZUPNKPFLBLU-NRFANRHFSA-N 1 3 470.691 3.744 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313859288 1071363500 /nfs/dbraw/zinc/36/35/00/1071363500.db2.gz FNKZYMIJWSNHHL-LNLFQRSKSA-N 1 3 480.499 3.931 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001313860417 1071370079 /nfs/dbraw/zinc/37/00/79/1071370079.db2.gz KLUFOHYZMCUVHS-KFWWJZLASA-N 1 3 455.470 3.638 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313860827 1071371854 /nfs/dbraw/zinc/37/18/54/1071371854.db2.gz OPVFDGKMTLNWGE-YZIHRLCOSA-N 1 3 499.729 3.503 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001313860418 1071370233 /nfs/dbraw/zinc/37/02/33/1071370233.db2.gz KLUFOHYZMCUVHS-KKUMJFAQSA-N 1 3 455.470 3.638 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313865911 1071394662 /nfs/dbraw/zinc/39/46/62/1071394662.db2.gz IWICSRXZRUETOO-NHCUHLMSSA-N 1 3 470.662 3.613 20 0 JHADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)CC1 ZINC001310462776 1071405171 /nfs/dbraw/zinc/40/51/71/1071405171.db2.gz DEONMXQHUIEKKA-UHFFFAOYSA-N 1 3 450.509 3.571 20 0 JHADHO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313869748 1071410162 /nfs/dbraw/zinc/41/01/62/1071410162.db2.gz QMHYSPYLSAGYKJ-SXWKCWPCSA-N 1 3 475.081 3.874 20 0 JHADHO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313869748 1071410169 /nfs/dbraw/zinc/41/01/69/1071410169.db2.gz QMHYSPYLSAGYKJ-SXWKCWPCSA-N 1 3 475.081 3.874 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313871562 1071417447 /nfs/dbraw/zinc/41/74/47/1071417447.db2.gz UKPLFYBWCMWGRR-QZTJIDSGSA-N 1 3 479.044 3.767 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313871799 1071418239 /nfs/dbraw/zinc/41/82/39/1071418239.db2.gz HNXWSSFPTGETSG-QNWVGRARSA-N 1 3 456.679 3.773 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@@H]1C ZINC001313872806 1071422085 /nfs/dbraw/zinc/42/20/85/1071422085.db2.gz XIZKWPBUFKVKRR-VXKWHMMOSA-N 1 3 460.711 3.819 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313873618 1071425650 /nfs/dbraw/zinc/42/56/50/1071425650.db2.gz MOFQCGGIJNJFSI-ACRUOGEOSA-N 1 3 458.626 3.504 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313873618 1071425656 /nfs/dbraw/zinc/42/56/56/1071425656.db2.gz MOFQCGGIJNJFSI-ACRUOGEOSA-N 1 3 458.626 3.504 20 0 JHADHO CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001313880238 1071451883 /nfs/dbraw/zinc/45/18/83/1071451883.db2.gz RHOOMFWBQWNZFV-HSZRJFAPSA-N 1 3 460.711 3.852 20 0 JHADHO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001313892488 1071487646 /nfs/dbraw/zinc/48/76/46/1071487646.db2.gz YPXRCHJZKJUDFY-GOSISDBHSA-N 1 3 493.469 3.967 20 0 JHADHO CC[N@H+]1CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001313892488 1071487648 /nfs/dbraw/zinc/48/76/48/1071487648.db2.gz YPXRCHJZKJUDFY-GOSISDBHSA-N 1 3 493.469 3.967 20 0 JHADHO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001313892490 1071487813 /nfs/dbraw/zinc/48/78/13/1071487813.db2.gz YPXRCHJZKJUDFY-SFHVURJKSA-N 1 3 493.469 3.967 20 0 JHADHO CC[N@H+]1CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001313892490 1071487821 /nfs/dbraw/zinc/48/78/21/1071487821.db2.gz YPXRCHJZKJUDFY-SFHVURJKSA-N 1 3 493.469 3.967 20 0 JHADHO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313911592 1071537634 /nfs/dbraw/zinc/53/76/34/1071537634.db2.gz DPDNZSQLGNKQOH-OAQYLSRUSA-N 1 3 470.662 3.661 20 0 JHADHO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313911592 1071537641 /nfs/dbraw/zinc/53/76/41/1071537641.db2.gz DPDNZSQLGNKQOH-OAQYLSRUSA-N 1 3 470.662 3.661 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313926023 1071574703 /nfs/dbraw/zinc/57/47/03/1071574703.db2.gz DKXIFBGMGSWNRZ-RUZDIDTESA-N 1 3 495.760 3.790 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313926023 1071574710 /nfs/dbraw/zinc/57/47/10/1071574710.db2.gz DKXIFBGMGSWNRZ-RUZDIDTESA-N 1 3 495.760 3.790 20 0 JHADHO CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4C)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001313947517 1071632347 /nfs/dbraw/zinc/63/23/47/1071632347.db2.gz BASLWVBYXWNUDQ-SANMLTNESA-N 1 3 481.733 3.512 20 0 JHADHO CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986501 1068338186 /nfs/dbraw/zinc/33/81/86/1068338186.db2.gz XLUSGKUODPSSQZ-LEWJYISDSA-N 1 3 454.663 3.823 20 0 JHADHO c1ncn(C[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)cc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745201 720850477 /nfs/dbraw/zinc/85/04/77/720850477.db2.gz MPJPVXWGDVUPTB-VDKIKQQVSA-N 1 3 457.626 3.806 20 0 JHADHO c1ncn(C[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)cc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745201 720850478 /nfs/dbraw/zinc/85/04/78/720850478.db2.gz MPJPVXWGDVUPTB-VDKIKQQVSA-N 1 3 457.626 3.806 20 0 JHADHO CN(Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754605 720919430 /nfs/dbraw/zinc/91/94/30/720919430.db2.gz WEHLQFFUVHHLJD-LBNVMWSVSA-N 1 3 461.654 3.826 20 0 JHADHO CN(Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754605 720919438 /nfs/dbraw/zinc/91/94/38/720919438.db2.gz WEHLQFFUVHHLJD-LBNVMWSVSA-N 1 3 461.654 3.826 20 0 JHADHO CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164800552 721544435 /nfs/dbraw/zinc/54/44/35/721544435.db2.gz CHFLIVJJHLVBRP-LSMIHOHGSA-N 1 3 469.633 3.903 20 0 JHADHO CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164800552 721544437 /nfs/dbraw/zinc/54/44/37/721544437.db2.gz CHFLIVJJHLVBRP-LSMIHOHGSA-N 1 3 469.633 3.903 20 0 JHADHO FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164912274 721737138 /nfs/dbraw/zinc/73/71/38/721737138.db2.gz NPTCIPZJNVHGHN-DEOSSOPVSA-N 1 3 457.569 3.593 20 0 JHADHO COc1cccc(OC)c1CN1CCC(N(C)c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001165031100 721844912 /nfs/dbraw/zinc/84/49/12/721844912.db2.gz RSVFURNLOATUFA-UHFFFAOYSA-N 1 3 454.615 3.673 20 0 JHADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)cc1 ZINC001311343286 1069330562 /nfs/dbraw/zinc/33/05/62/1069330562.db2.gz CRXFFLZPYSYRBI-NZJKTDFXSA-N 1 3 450.627 3.899 20 0 JHADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)cc1 ZINC001311343286 1069330577 /nfs/dbraw/zinc/33/05/77/1069330577.db2.gz CRXFFLZPYSYRBI-NZJKTDFXSA-N 1 3 450.627 3.899 20 0 JHADHO CC(=O)Nc1ccc(CN2CCC(NC(=O)NC[C@H](C(C)C)[NH+]3CCC(C)CC3)CC2)cc1 ZINC001311393659 1069360118 /nfs/dbraw/zinc/36/01/18/1069360118.db2.gz SQNJXXXQXZLYLB-RUZDIDTESA-N 1 3 457.663 3.665 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306648486 1069360087 /nfs/dbraw/zinc/36/00/87/1069360087.db2.gz RHJXYLLWMUEIRN-UPVQGACJSA-N 1 3 468.690 3.923 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306648486 1069360099 /nfs/dbraw/zinc/36/00/99/1069360099.db2.gz RHJXYLLWMUEIRN-UPVQGACJSA-N 1 3 468.690 3.923 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)CCN1CCOC ZINC001306652774 1069364384 /nfs/dbraw/zinc/36/43/84/1069364384.db2.gz YDYXMXZCUIOMCQ-ZEQRLZLVSA-N 1 3 454.663 3.757 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)CCN1CCOC ZINC001306652774 1069364393 /nfs/dbraw/zinc/36/43/93/1069364393.db2.gz YDYXMXZCUIOMCQ-ZEQRLZLVSA-N 1 3 454.663 3.757 20 0 JHADHO CC1CCN([C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cccs2)CC1 ZINC001311569760 1069442145 /nfs/dbraw/zinc/44/21/45/1069442145.db2.gz GTSZLGOMXRNCDF-DHIUTWEWSA-N 1 3 456.656 3.587 20 0 JHADHO CC1CCN([C@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccs2)CC1 ZINC001311569760 1069442149 /nfs/dbraw/zinc/44/21/49/1069442149.db2.gz GTSZLGOMXRNCDF-DHIUTWEWSA-N 1 3 456.656 3.587 20 0 JHADHO C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819206 1069559128 /nfs/dbraw/zinc/55/91/28/1069559128.db2.gz GXIWYTBDYVMXSW-OWSXEPHWSA-N 1 3 457.569 3.522 20 0 JHADHO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312012528 1069669601 /nfs/dbraw/zinc/66/96/01/1069669601.db2.gz PSEKIRCULSVDOG-RUZDIDTESA-N 1 3 450.627 3.540 20 0 JHADHO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001307057453 1069834052 /nfs/dbraw/zinc/83/40/52/1069834052.db2.gz FWXBJPNBUNASKE-NRFANRHFSA-N 1 3 459.708 3.819 20 0 JHADHO CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001307057453 1069834076 /nfs/dbraw/zinc/83/40/76/1069834076.db2.gz FWXBJPNBUNASKE-NRFANRHFSA-N 1 3 459.708 3.819 20 0 JHADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC001312657465 1070066268 /nfs/dbraw/zinc/06/62/68/1070066268.db2.gz XGNCBOQOUIOIAN-FQEVSTJZSA-N 1 3 451.453 3.929 20 0 JHADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC001312657465 1070066289 /nfs/dbraw/zinc/06/62/89/1070066289.db2.gz XGNCBOQOUIOIAN-FQEVSTJZSA-N 1 3 451.453 3.929 20 0 JHADHO CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001314384160 1070228049 /nfs/dbraw/zinc/22/80/49/1070228049.db2.gz BJZIDMOYVZHBBT-QFIPXVFZSA-N 1 3 470.662 3.581 20 0 JHADHO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCCN2CCCCCC2)cc1 ZINC001309049395 1070507642 /nfs/dbraw/zinc/50/76/42/1070507642.db2.gz CKBYZQUHFRIOQY-IZZNHLLZSA-N 1 3 455.668 3.758 20 0 JHADHO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCCN2CCCCCC2)cc1 ZINC001309049395 1070507656 /nfs/dbraw/zinc/50/76/56/1070507656.db2.gz CKBYZQUHFRIOQY-IZZNHLLZSA-N 1 3 455.668 3.758 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001313695507 1070960104 /nfs/dbraw/zinc/96/01/04/1070960104.db2.gz PRNITSXPILSDIY-UPVQGACJSA-N 1 3 454.663 3.786 20 0 JHADHO CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1CCC(CN2CCOCC2)CC1)C(C)C ZINC001313807713 1071229485 /nfs/dbraw/zinc/22/94/85/1071229485.db2.gz WEUXPYZYZIPNLF-UHFFFAOYSA-N 1 3 454.663 3.532 20 0 JHADHO CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CCC(CN2CCOCC2)CC1)C(C)C ZINC001313807713 1071229495 /nfs/dbraw/zinc/22/94/95/1071229495.db2.gz WEUXPYZYZIPNLF-UHFFFAOYSA-N 1 3 454.663 3.532 20 0 JHADHO CCN(CCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313810195 1071240199 /nfs/dbraw/zinc/24/01/99/1071240199.db2.gz MATARRWTDNGILI-UHFFFAOYSA-N 1 3 465.568 3.679 20 0 JHADHO CC[N@H+](CCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313822647 1071286298 /nfs/dbraw/zinc/28/62/98/1071286298.db2.gz UKMCGCIIQMTTNR-QHCPKHFHSA-N 1 3 484.689 3.585 20 0 JHADHO CC[N@@H+](CCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313822647 1071286307 /nfs/dbraw/zinc/28/63/07/1071286307.db2.gz UKMCGCIIQMTTNR-QHCPKHFHSA-N 1 3 484.689 3.585 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313859783 1071365942 /nfs/dbraw/zinc/36/59/42/1071365942.db2.gz ICAOYHHSNOYUQK-FIXSFTCYSA-N 1 3 498.716 3.801 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313859284 1071362981 /nfs/dbraw/zinc/36/29/81/1071362981.db2.gz FJVUWKLXVHMUBQ-SLFFLAALSA-N 1 3 458.626 3.960 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313859784 1071365271 /nfs/dbraw/zinc/36/52/71/1071365271.db2.gz ICAOYHHSNOYUQK-GPXNEJASSA-N 1 3 498.716 3.801 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313861281 1071372962 /nfs/dbraw/zinc/37/29/62/1071372962.db2.gz QCGFUZUVOKHETK-FCHUYYIVSA-N 1 3 482.677 3.501 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001313864604 1071387764 /nfs/dbraw/zinc/38/77/64/1071387764.db2.gz ZDCTWUHFVHDJAU-QZTJIDSGSA-N 1 3 463.468 3.967 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001313864604 1071387781 /nfs/dbraw/zinc/38/77/81/1071387781.db2.gz ZDCTWUHFVHDJAU-QZTJIDSGSA-N 1 3 463.468 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313874506 1071428924 /nfs/dbraw/zinc/42/89/24/1071428924.db2.gz IHLCEZHFNMUAIF-PTUXOGIPSA-N 1 3 470.710 3.569 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313874506 1071428926 /nfs/dbraw/zinc/42/89/26/1071428926.db2.gz IHLCEZHFNMUAIF-PTUXOGIPSA-N 1 3 470.710 3.569 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313874507 1071428988 /nfs/dbraw/zinc/42/89/88/1071428988.db2.gz IHLCEZHFNMUAIF-VJBMBRPKSA-N 1 3 470.710 3.569 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313874507 1071428993 /nfs/dbraw/zinc/42/89/93/1071428993.db2.gz IHLCEZHFNMUAIF-VJBMBRPKSA-N 1 3 470.710 3.569 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001313878797 1071445913 /nfs/dbraw/zinc/44/59/13/1071445913.db2.gz VTSRGOGCBCVFDN-GOTSBHOMSA-N 1 3 454.663 3.960 20 0 JHADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@H](C)[NH+](CC)CC)C2)CC1 ZINC001313944462 1071624938 /nfs/dbraw/zinc/62/49/38/1071624938.db2.gz CDELGQCEFBASKS-NZQKXSOJSA-N 1 3 474.097 3.545 20 0 JHADHO CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001313948592 1071633899 /nfs/dbraw/zinc/63/38/99/1071633899.db2.gz LSLNSOHZMJXMHH-HSZRJFAPSA-N 1 3 499.773 3.683 20 0 JHADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC(C4C[NH2+]C4)CC3)c21 ZINC001164615885 719037443 /nfs/dbraw/zinc/03/74/43/719037443.db2.gz RRNARWVPYPYAFQ-UHFFFAOYSA-N 1 3 467.013 3.833 20 0 JHADHO CC(C)n1nc(CN(c2nccs2)c2cc(OC3CC[NH+](C)CC3)ccn2)c2c1CNCC2 ZINC001164710690 720091612 /nfs/dbraw/zinc/09/16/12/720091612.db2.gz LCPJDYKPORYWRR-UHFFFAOYSA-N 1 3 467.643 3.773 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)cc2)CC1 ZINC001311358293 1069341849 /nfs/dbraw/zinc/34/18/49/1069341849.db2.gz RDSJRPNZZDXBCP-JOCHJYFZSA-N 1 3 451.659 3.753 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001306646586 1069357191 /nfs/dbraw/zinc/35/71/91/1069357191.db2.gz LZTMOGAULACWOG-RTWAWAEBSA-N 1 3 475.081 3.877 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001306646586 1069357206 /nfs/dbraw/zinc/35/72/06/1069357206.db2.gz LZTMOGAULACWOG-RTWAWAEBSA-N 1 3 475.081 3.877 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306648484 1069359809 /nfs/dbraw/zinc/35/98/09/1069359809.db2.gz RHJXYLLWMUEIRN-LADGPHEKSA-N 1 3 468.690 3.923 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306648484 1069359827 /nfs/dbraw/zinc/35/98/27/1069359827.db2.gz RHJXYLLWMUEIRN-LADGPHEKSA-N 1 3 468.690 3.923 20 0 JHADHO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001306722423 1069460247 /nfs/dbraw/zinc/46/02/47/1069460247.db2.gz LBGBZFBDJMYINL-RBZQAINGSA-N 1 3 459.727 3.662 20 0 JHADHO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001306722423 1069460251 /nfs/dbraw/zinc/46/02/51/1069460251.db2.gz LBGBZFBDJMYINL-RBZQAINGSA-N 1 3 459.727 3.662 20 0 JHADHO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306726019 1069467812 /nfs/dbraw/zinc/46/78/12/1069467812.db2.gz JFAZMYGIAUQPJQ-WMTXJRDZSA-N 1 3 453.679 3.837 20 0 JHADHO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306726019 1069467817 /nfs/dbraw/zinc/46/78/17/1069467817.db2.gz JFAZMYGIAUQPJQ-WMTXJRDZSA-N 1 3 453.679 3.837 20 0 JHADHO CCC[NH+]1CCC(Cn2c(-c3ccccc3OC)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001307038463 1069761252 /nfs/dbraw/zinc/76/12/52/1069761252.db2.gz JXBVACARUDSAIQ-UHFFFAOYSA-N 1 3 454.663 3.996 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001307053973 1069814710 /nfs/dbraw/zinc/81/47/10/1069814710.db2.gz JNTVOJVQRQPQJC-WXFUMESZSA-N 1 3 459.727 3.661 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001307053973 1069814733 /nfs/dbraw/zinc/81/47/33/1069814733.db2.gz JNTVOJVQRQPQJC-WXFUMESZSA-N 1 3 459.727 3.661 20 0 JHADHO CCOCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314323431 1070108776 /nfs/dbraw/zinc/10/87/76/1070108776.db2.gz RUPZJVZINVPBLI-LEWJYISDSA-N 1 3 454.663 3.570 20 0 JHADHO CCOCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314323431 1070108783 /nfs/dbraw/zinc/10/87/83/1070108783.db2.gz RUPZJVZINVPBLI-LEWJYISDSA-N 1 3 454.663 3.570 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001309571882 1070865000 /nfs/dbraw/zinc/86/50/00/1070865000.db2.gz TUNGSEVQNQXVHX-DMTNHVFBSA-N 1 3 455.668 3.614 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC001309571882 1070865028 /nfs/dbraw/zinc/86/50/28/1070865028.db2.gz TUNGSEVQNQXVHX-DMTNHVFBSA-N 1 3 455.668 3.614 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001313668684 1070892776 /nfs/dbraw/zinc/89/27/76/1070892776.db2.gz RTHHQPDIIKNNQR-BJKOFHAPSA-N 1 3 498.716 3.894 20 0 JHADHO CCN(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccco1 ZINC001313672205 1070903366 /nfs/dbraw/zinc/90/33/66/1070903366.db2.gz FMCVNYHHOFAPCD-JOCHJYFZSA-N 1 3 451.619 3.983 20 0 JHADHO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 ZINC001313677419 1070925244 /nfs/dbraw/zinc/92/52/44/1070925244.db2.gz KFBVFHUGNQCBPO-ZEQRLZLVSA-N 1 3 454.663 3.643 20 0 JHADHO CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001313701991 1070982014 /nfs/dbraw/zinc/98/20/14/1070982014.db2.gz DZUCKFLWLACXFD-UHFFFAOYSA-N 1 3 468.690 3.840 20 0 JHADHO CCN(CCn1c(-c2cccn2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)CCC(F)(F)F ZINC001313810155 1071240469 /nfs/dbraw/zinc/24/04/69/1071240469.db2.gz LNRBBCAVRKNXBV-IBGZPJMESA-N 1 3 467.584 3.623 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313860448 1071369770 /nfs/dbraw/zinc/36/97/70/1071369770.db2.gz KZOGXBKBQQOQIF-JAXLGGSGSA-N 1 3 472.678 3.858 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313864059 1071385591 /nfs/dbraw/zinc/38/55/91/1071385591.db2.gz FULNRCGOQFYXBP-VQTJNVASSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313864059 1071385606 /nfs/dbraw/zinc/38/56/06/1071385606.db2.gz FULNRCGOQFYXBP-VQTJNVASSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001313868506 1071404365 /nfs/dbraw/zinc/40/43/65/1071404365.db2.gz NWHONMXFJQGGRO-DHIUTWEWSA-N 1 3 468.690 3.867 20 0 JHADHO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313869739 1071410101 /nfs/dbraw/zinc/41/01/01/1071410101.db2.gz QMHYSPYLSAGYKJ-JTAQYXEDSA-N 1 3 475.081 3.874 20 0 JHADHO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313869739 1071410108 /nfs/dbraw/zinc/41/01/08/1071410108.db2.gz QMHYSPYLSAGYKJ-JTAQYXEDSA-N 1 3 475.081 3.874 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313874842 1071428563 /nfs/dbraw/zinc/42/85/63/1071428563.db2.gz OFRNEIQPUDGUOO-ZLNRFVROSA-N 1 3 461.658 3.703 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313874842 1071428570 /nfs/dbraw/zinc/42/85/70/1071428570.db2.gz OFRNEIQPUDGUOO-ZLNRFVROSA-N 1 3 461.658 3.703 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313878929 1071447021 /nfs/dbraw/zinc/44/70/21/1071447021.db2.gz WITVUJXYGZWPCK-DNQXCXABSA-N 1 3 498.716 3.628 20 0 JHADHO CCC[C@@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1CCOC ZINC001306615132 1069295426 /nfs/dbraw/zinc/29/54/26/1069295426.db2.gz DRBLRKHFTYUIJO-CLJLJLNGSA-N 1 3 468.690 3.826 20 0 JHADHO CCC[C@@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1CCOC ZINC001306615132 1069295433 /nfs/dbraw/zinc/29/54/33/1069295433.db2.gz DRBLRKHFTYUIJO-CLJLJLNGSA-N 1 3 468.690 3.826 20 0 JHADHO CCC[C@@H]1CN(c2nnc(C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1CCOC ZINC001306619700 1069304449 /nfs/dbraw/zinc/30/44/49/1069304449.db2.gz ZOWQMPRMYTWEHV-RUZDIDTESA-N 1 3 454.663 3.558 20 0 JHADHO Clc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)CNCC2 ZINC001164755001 720905514 /nfs/dbraw/zinc/90/55/14/720905514.db2.gz XSXLKROCEWDVAR-QFQXNSOFSA-N 1 3 468.045 3.531 20 0 JHADHO Clc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)CNCC2 ZINC001164755001 720905524 /nfs/dbraw/zinc/90/55/24/720905524.db2.gz XSXLKROCEWDVAR-QFQXNSOFSA-N 1 3 468.045 3.531 20 0 JHADHO CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12 ZINC001164800555 721544525 /nfs/dbraw/zinc/54/45/25/721544525.db2.gz CHFLIVJJHLVBRP-QQJNOOCOSA-N 1 3 469.633 3.903 20 0 JHADHO CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12 ZINC001164800555 721544531 /nfs/dbraw/zinc/54/45/31/721544531.db2.gz CHFLIVJJHLVBRP-QQJNOOCOSA-N 1 3 469.633 3.903 20 0 JHADHO FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908707 721718540 /nfs/dbraw/zinc/71/85/40/721718540.db2.gz YSHFTWKJGNFTCY-DEOSSOPVSA-N 1 3 457.569 3.689 20 0 JHADHO FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908710 721718677 /nfs/dbraw/zinc/71/86/77/721718677.db2.gz YSHFTWKJGNFTCY-XMMPIXPASA-N 1 3 457.569 3.689 20 0 JHADHO C[NH+](C)[C@H]1CCCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)C1 ZINC001165037844 721894728 /nfs/dbraw/zinc/89/47/28/721894728.db2.gz ZOKWIKYOOFZPQJ-IBGZPJMESA-N 1 3 455.002 3.927 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357594 1069340792 /nfs/dbraw/zinc/34/07/92/1069340792.db2.gz JVENAXOZTSLWSS-ATIYNZHBSA-N 1 3 451.659 3.623 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CC[NH+](C(C)(C)CC(C)(C)C)CC3)cc2)CC1 ZINC001311359514 1069343511 /nfs/dbraw/zinc/34/35/11/1069343511.db2.gz ZHAJJCBYBMEUDM-UHFFFAOYSA-N 1 3 457.707 3.866 20 0 JHADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001311379582 1069353032 /nfs/dbraw/zinc/35/30/32/1069353032.db2.gz DGGRXBRHOZORLW-BJKOFHAPSA-N 1 3 455.691 3.849 20 0 JHADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001311379582 1069353049 /nfs/dbraw/zinc/35/30/49/1069353049.db2.gz DGGRXBRHOZORLW-BJKOFHAPSA-N 1 3 455.691 3.849 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)CCN1CCOC ZINC001306652772 1069364007 /nfs/dbraw/zinc/36/40/07/1069364007.db2.gz YDYXMXZCUIOMCQ-DNQXCXABSA-N 1 3 454.663 3.757 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)CCN1CCOC ZINC001306652772 1069364021 /nfs/dbraw/zinc/36/40/21/1069364021.db2.gz YDYXMXZCUIOMCQ-DNQXCXABSA-N 1 3 454.663 3.757 20 0 JHADHO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306682980 1069415354 /nfs/dbraw/zinc/41/53/54/1069415354.db2.gz RYOOTZJTYAGWCE-UHFFFAOYSA-N 1 3 479.044 3.771 20 0 JHADHO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306682980 1069415361 /nfs/dbraw/zinc/41/53/61/1069415361.db2.gz RYOOTZJTYAGWCE-UHFFFAOYSA-N 1 3 479.044 3.771 20 0 JHADHO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306802184 1069607994 /nfs/dbraw/zinc/60/79/94/1069607994.db2.gz HLRUBENIYAKCBJ-DLBZAZTESA-N 1 3 466.472 3.687 20 0 JHADHO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306802184 1069608002 /nfs/dbraw/zinc/60/80/02/1069608002.db2.gz HLRUBENIYAKCBJ-DLBZAZTESA-N 1 3 466.472 3.687 20 0 JHADHO CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306808454 1069624872 /nfs/dbraw/zinc/62/48/72/1069624872.db2.gz MDWIKRFYRBTZRM-MYGLTJDJSA-N 1 3 491.725 3.700 20 0 JHADHO CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306808454 1069624886 /nfs/dbraw/zinc/62/48/86/1069624886.db2.gz MDWIKRFYRBTZRM-MYGLTJDJSA-N 1 3 491.725 3.700 20 0 JHADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001312498406 1069974688 /nfs/dbraw/zinc/97/46/88/1069974688.db2.gz CKRQDZNPJCVNIM-SANMLTNESA-N 1 3 450.627 3.584 20 0 JHADHO COc1cc(C)c([C@H](C)NC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1OC ZINC001307657052 1070106391 /nfs/dbraw/zinc/10/63/91/1070106391.db2.gz GRWIXLXPCMBOGY-NJYVYQBISA-N 1 3 453.627 3.936 20 0 JHADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312801729 1070130738 /nfs/dbraw/zinc/13/07/38/1070130738.db2.gz ANULDHVVGPYXEO-FQEVSTJZSA-N 1 3 450.071 3.756 20 0 JHADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312801729 1070130744 /nfs/dbraw/zinc/13/07/44/1070130744.db2.gz ANULDHVVGPYXEO-FQEVSTJZSA-N 1 3 450.071 3.756 20 0 JHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001312993458 1070215541 /nfs/dbraw/zinc/21/55/41/1070215541.db2.gz BAELGVBFHKNYNP-AZUAARDMSA-N 1 3 453.469 3.828 20 0 JHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001312993458 1070215554 /nfs/dbraw/zinc/21/55/54/1070215554.db2.gz BAELGVBFHKNYNP-AZUAARDMSA-N 1 3 453.469 3.828 20 0 JHADHO CCOCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001314376213 1070216224 /nfs/dbraw/zinc/21/62/24/1070216224.db2.gz LZOVMKRSICHMAT-UHFFFAOYSA-N 1 3 468.690 3.962 20 0 JHADHO CCOCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001314376213 1070216241 /nfs/dbraw/zinc/21/62/41/1070216241.db2.gz LZOVMKRSICHMAT-UHFFFAOYSA-N 1 3 468.690 3.962 20 0 JHADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]Cc3cc4c(cn3)OCCO4)CC2)c1 ZINC001308195369 1070339282 /nfs/dbraw/zinc/33/92/82/1070339282.db2.gz AGEZKGWOVPCRDV-UHFFFAOYSA-N 1 3 450.505 3.564 20 0 JHADHO CC[N@H+](C)Cc1cccc(Cn2c(N3CCC(CN4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313574649 1070689798 /nfs/dbraw/zinc/68/97/98/1070689798.db2.gz KSURXWXUZYSDDO-UHFFFAOYSA-N 1 3 468.690 3.624 20 0 JHADHO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCC(CN4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313574649 1070689808 /nfs/dbraw/zinc/68/98/08/1070689808.db2.gz KSURXWXUZYSDDO-UHFFFAOYSA-N 1 3 468.690 3.624 20 0 JHADHO CN(c1nnc(CC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1)C1CCN(CCn2cccn2)CC1 ZINC001314667180 1070801301 /nfs/dbraw/zinc/80/13/01/1070801301.db2.gz IGNALKVFIUGWBT-UHFFFAOYSA-N 1 3 492.716 3.774 20 0 JHADHO C[NH+](C)CCOc1cccc(Cn2c(C3CCCC3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001314668894 1070805874 /nfs/dbraw/zinc/80/58/74/1070805874.db2.gz SILUIHGGXOLBMG-UHFFFAOYSA-N 1 3 454.663 3.845 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313667843 1070890276 /nfs/dbraw/zinc/89/02/76/1070890276.db2.gz LQEAUSHHOYIVMD-PCCBWWKXSA-N 1 3 491.725 3.700 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001313721073 1071022806 /nfs/dbraw/zinc/02/28/06/1071022806.db2.gz DHVDILZMQOGMML-MOPGFXCFSA-N 1 3 479.044 3.626 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313860922 1071372108 /nfs/dbraw/zinc/37/21/08/1071372108.db2.gz NFKVCRCDUFAQGQ-WWMYMODYSA-N 1 3 475.479 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313868286 1071404349 /nfs/dbraw/zinc/40/43/49/1071404349.db2.gz NJBSCPSEGAZTHK-NJYVYQBISA-N 1 3 470.662 3.613 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313873622 1071425431 /nfs/dbraw/zinc/42/54/31/1071425431.db2.gz MOUCJIBBNPLHOL-PMACEKPBSA-N 1 3 472.703 3.700 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313877309 1071440880 /nfs/dbraw/zinc/44/08/80/1071440880.db2.gz WMTQBAWTGUAICN-ODAXIHTASA-N 1 3 455.695 3.961 20 0 JHADHO CC[NH+]1CCC(CCn2c([C@H]3CCCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001313880239 1071451898 /nfs/dbraw/zinc/45/18/98/1071451898.db2.gz RHOOMFWBQWNZFV-QHCPKHFHSA-N 1 3 460.711 3.852 20 0 JHADHO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001313885614 1071467163 /nfs/dbraw/zinc/46/71/63/1071467163.db2.gz FEUSFMGXOIFBOZ-SFHVURJKSA-N 1 3 461.054 3.869 20 0 JHADHO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001313885614 1071467172 /nfs/dbraw/zinc/46/71/72/1071467172.db2.gz FEUSFMGXOIFBOZ-SFHVURJKSA-N 1 3 461.054 3.869 20 0 JHADHO CCc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)C[NH+](C)C ZINC001305986462 1068337589 /nfs/dbraw/zinc/33/75/89/1068337589.db2.gz OFLCNBUTRJMFFR-QFIPXVFZSA-N 1 3 498.716 3.697 20 0 JHADHO [NH3+]C1([C@H]2CN(c3c4c(cnc3Cl)C3(CCN(Cc5ccccc5)CC3)OC4=O)C[C@H]2CF)CC1 ZINC001164622518 719121463 /nfs/dbraw/zinc/12/14/63/719121463.db2.gz PELSCDHPWCSLBQ-QUCCMNQESA-N 1 3 485.003 3.910 20 0 JHADHO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncccc3CN3CCCC3)CC2)c2ccccc21 ZINC001164685514 719683136 /nfs/dbraw/zinc/68/31/36/719683136.db2.gz KWQCXXUWIABEGG-XMMPIXPASA-N 1 3 475.681 3.771 20 0 JHADHO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306632554 1069334213 /nfs/dbraw/zinc/33/42/13/1069334213.db2.gz ZWESHCSPNZYKNI-FCHUYYIVSA-N 1 3 462.727 3.924 20 0 JHADHO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306632554 1069334227 /nfs/dbraw/zinc/33/42/27/1069334227.db2.gz ZWESHCSPNZYKNI-FCHUYYIVSA-N 1 3 462.727 3.924 20 0 JHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370116 /nfs/dbraw/zinc/37/01/16/1069370116.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 1 3 455.691 3.661 20 0 JHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370122 /nfs/dbraw/zinc/37/01/22/1069370122.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 1 3 455.691 3.661 20 0 JHADHO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306722425 1069460403 /nfs/dbraw/zinc/46/04/03/1069460403.db2.gz LBGBZFBDJMYINL-VXNXHJTFSA-N 1 3 459.727 3.662 20 0 JHADHO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306722425 1069460410 /nfs/dbraw/zinc/46/04/10/1069460410.db2.gz LBGBZFBDJMYINL-VXNXHJTFSA-N 1 3 459.727 3.662 20 0 JHADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(COc4ccc(F)cc4)cc3)CC2)CC1 ZINC001311778308 1069542939 /nfs/dbraw/zinc/54/29/39/1069542939.db2.gz VCCSPPCOEMKNJW-UHFFFAOYSA-N 1 3 454.590 3.763 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001307053967 1069815003 /nfs/dbraw/zinc/81/50/03/1069815003.db2.gz JNTVOJVQRQPQJC-RBZQAINGSA-N 1 3 459.727 3.661 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001307053967 1069815019 /nfs/dbraw/zinc/81/50/19/1069815019.db2.gz JNTVOJVQRQPQJC-RBZQAINGSA-N 1 3 459.727 3.661 20 0 JHADHO CC[C@](C)(COc1ncccc1Cl)NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307593426 1070071078 /nfs/dbraw/zinc/07/10/78/1070071078.db2.gz ZBXPTYSVLCNAGJ-RUZDIDTESA-N 1 3 459.034 3.961 20 0 JHADHO CC(=O)NC1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)CC1 ZINC001308814855 1070442043 /nfs/dbraw/zinc/44/20/43/1070442043.db2.gz IYRLAMCHQKNMET-UHFFFAOYSA-N 1 3 458.647 3.583 20 0 JHADHO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC001309200717 1070601209 /nfs/dbraw/zinc/60/12/09/1070601209.db2.gz GWOJYSHHJFSDII-DMTNHVFBSA-N 1 3 455.668 3.566 20 0 JHADHO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@@H]2CCCN(C)C2)cc1 ZINC001309200717 1070601220 /nfs/dbraw/zinc/60/12/20/1070601220.db2.gz GWOJYSHHJFSDII-DMTNHVFBSA-N 1 3 455.668 3.566 20 0 JHADHO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309255602 1070648245 /nfs/dbraw/zinc/64/82/45/1070648245.db2.gz XZPZHSDBHLLUKW-CCDWMCETSA-N 1 3 459.631 3.540 20 0 JHADHO CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314650517 1070758535 /nfs/dbraw/zinc/75/85/35/1070758535.db2.gz RPCOERRSJHIZSB-QHCPKHFHSA-N 1 3 480.636 3.735 20 0 JHADHO CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1)c1cccc(F)c1 ZINC001314657078 1070776300 /nfs/dbraw/zinc/77/63/00/1070776300.db2.gz VPJREIPXVWYUDH-XMMPIXPASA-N 1 3 486.680 3.857 20 0 JHADHO C[NH+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001314667536 1070801786 /nfs/dbraw/zinc/80/17/86/1070801786.db2.gz OHCGMQGOEHHRQQ-UHFFFAOYSA-N 1 3 475.685 3.932 20 0 JHADHO C[NH+](C)CCOc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001314668208 1070803637 /nfs/dbraw/zinc/80/36/37/1070803637.db2.gz AQPIEIKJECYZMN-UHFFFAOYSA-N 1 3 456.679 3.776 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313668663 1070893101 /nfs/dbraw/zinc/89/31/01/1070893101.db2.gz RHBVWCRTBJOAEN-ZEQRLZLVSA-N 1 3 498.716 3.894 20 0 JHADHO CCN(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313676488 1070921089 /nfs/dbraw/zinc/92/10/89/1070921089.db2.gz FBJZPNYQQSXKBP-UGKGYDQZSA-N 1 3 460.692 3.893 20 0 JHADHO CC[N@H+](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001313802624 1071209052 /nfs/dbraw/zinc/20/90/52/1071209052.db2.gz GVRMVFHQLJUMTQ-UHFFFAOYSA-N 1 3 464.662 3.986 20 0 JHADHO CC[N@@H+](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001313802624 1071209059 /nfs/dbraw/zinc/20/90/59/1071209059.db2.gz GVRMVFHQLJUMTQ-UHFFFAOYSA-N 1 3 464.662 3.986 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313858022 1071357948 /nfs/dbraw/zinc/35/79/48/1071357948.db2.gz FBPHXQCVBFBTSJ-VJBMBRPKSA-N 1 3 481.689 3.798 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313858022 1071357967 /nfs/dbraw/zinc/35/79/67/1071357967.db2.gz FBPHXQCVBFBTSJ-VJBMBRPKSA-N 1 3 481.689 3.798 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313860820 1071372182 /nfs/dbraw/zinc/37/21/82/1071372182.db2.gz OPVFDGKMTLNWGE-SWYRRKHMSA-N 1 3 499.729 3.503 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313864061 1071384789 /nfs/dbraw/zinc/38/47/89/1071384789.db2.gz FULNRCGOQFYXBP-WOJBJXKFSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313864061 1071384798 /nfs/dbraw/zinc/38/47/98/1071384798.db2.gz FULNRCGOQFYXBP-WOJBJXKFSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313869254 1071408295 /nfs/dbraw/zinc/40/82/95/1071408295.db2.gz OZMIZEATOHFJLS-VHJOFQCFSA-N 1 3 460.711 3.849 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313869254 1071408301 /nfs/dbraw/zinc/40/83/01/1071408301.db2.gz OZMIZEATOHFJLS-VHJOFQCFSA-N 1 3 460.711 3.849 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313871448 1071416848 /nfs/dbraw/zinc/41/68/48/1071416848.db2.gz ZIDXGSRFRRVIAE-YADHBBJMSA-N 1 3 470.731 3.810 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001313871104 1071415804 /nfs/dbraw/zinc/41/58/04/1071415804.db2.gz WWGLXJFHSRIYGL-SFTDATJTSA-N 1 3 451.663 3.788 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313873621 1071425472 /nfs/dbraw/zinc/42/54/72/1071425472.db2.gz MOFQCGGIJNJFSI-QHAWAJNXSA-N 1 3 458.626 3.504 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313873621 1071425479 /nfs/dbraw/zinc/42/54/79/1071425479.db2.gz MOFQCGGIJNJFSI-QHAWAJNXSA-N 1 3 458.626 3.504 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313874469 1071428754 /nfs/dbraw/zinc/42/87/54/1071428754.db2.gz IARCCWFNDZDACS-MCEYFSPLSA-N 1 3 486.730 3.830 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313886304 1071469810 /nfs/dbraw/zinc/46/98/10/1071469810.db2.gz RKIRXANBWLSVJD-DXBBTUNJSA-N 1 3 492.778 3.943 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931378 1071591782 /nfs/dbraw/zinc/59/17/82/1071591782.db2.gz YOIAOCPGVCOCBW-RGSZASNESA-N 1 3 495.760 3.992 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931378 1071591788 /nfs/dbraw/zinc/59/17/88/1071591788.db2.gz YOIAOCPGVCOCBW-RGSZASNESA-N 1 3 495.760 3.992 20 0 JHADHO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(CC)[C@H](C)C2)CC1 ZINC001313949108 1071635238 /nfs/dbraw/zinc/63/52/38/1071635238.db2.gz HUPKBZITJPSSLP-VQTJNVASSA-N 1 3 492.087 3.542 20 0 JHADHO CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12 ZINC001164800556 721544189 /nfs/dbraw/zinc/54/41/89/721544189.db2.gz CHFLIVJJHLVBRP-YIKNKFAXSA-N 1 3 469.633 3.903 20 0 JHADHO CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12 ZINC001164800556 721544193 /nfs/dbraw/zinc/54/41/93/721544193.db2.gz CHFLIVJJHLVBRP-YIKNKFAXSA-N 1 3 469.633 3.903 20 0 JHADHO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973131 722157696 /nfs/dbraw/zinc/15/76/96/722157696.db2.gz LHIPJFNMJZWIRM-REWPJTCUSA-N 1 3 489.998 3.779 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357381 1069341554 /nfs/dbraw/zinc/34/15/54/1069341554.db2.gz HHBJBCYMGXGGTH-JYFHCDHNSA-N 1 3 455.691 3.620 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357381 1069341567 /nfs/dbraw/zinc/34/15/67/1069341567.db2.gz HHBJBCYMGXGGTH-JYFHCDHNSA-N 1 3 455.691 3.620 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001306646581 1069357475 /nfs/dbraw/zinc/35/74/75/1069357475.db2.gz LZTMOGAULACWOG-LEWJYISDSA-N 1 3 475.081 3.877 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001306646581 1069357493 /nfs/dbraw/zinc/35/74/93/1069357493.db2.gz LZTMOGAULACWOG-LEWJYISDSA-N 1 3 475.081 3.877 20 0 JHADHO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306681034 1069408393 /nfs/dbraw/zinc/40/83/93/1069408393.db2.gz HBAYJBHRQLQWBC-XMMPIXPASA-N 1 3 488.124 3.935 20 0 JHADHO CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306681034 1069408398 /nfs/dbraw/zinc/40/83/98/1069408398.db2.gz HBAYJBHRQLQWBC-XMMPIXPASA-N 1 3 488.124 3.935 20 0 JHADHO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001306680896 1069409132 /nfs/dbraw/zinc/40/91/32/1069409132.db2.gz VVNFTSFOVPOEAA-UHFFFAOYSA-N 1 3 481.689 3.944 20 0 JHADHO CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001306680896 1069409140 /nfs/dbraw/zinc/40/91/40/1069409140.db2.gz VVNFTSFOVPOEAA-UHFFFAOYSA-N 1 3 481.689 3.944 20 0 JHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1Cl ZINC001311567932 1069441370 /nfs/dbraw/zinc/44/13/70/1069441370.db2.gz NBGJGDCQXYVQIU-REWPJTCUSA-N 1 3 450.071 3.533 20 0 JHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1Cl ZINC001311567932 1069441374 /nfs/dbraw/zinc/44/13/74/1069441374.db2.gz NBGJGDCQXYVQIU-REWPJTCUSA-N 1 3 450.071 3.533 20 0 JHADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001306784907 1069586049 /nfs/dbraw/zinc/58/60/49/1069586049.db2.gz OZQXIQXEJZSQOA-CTNGQTDRSA-N 1 3 453.660 3.873 20 0 JHADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001306784907 1069586054 /nfs/dbraw/zinc/58/60/54/1069586054.db2.gz OZQXIQXEJZSQOA-CTNGQTDRSA-N 1 3 453.660 3.873 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001314225840 1069892799 /nfs/dbraw/zinc/89/27/99/1069892799.db2.gz BAUFJHPEXRVNEO-UHFFFAOYSA-N 1 3 484.689 3.908 20 0 JHADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001312499020 1069974722 /nfs/dbraw/zinc/97/47/22/1069974722.db2.gz FTDHVZLHKQYMKO-SANMLTNESA-N 1 3 450.627 3.503 20 0 JHADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001312499020 1069974728 /nfs/dbraw/zinc/97/47/28/1069974728.db2.gz FTDHVZLHKQYMKO-SANMLTNESA-N 1 3 450.627 3.503 20 0 JHADHO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001307886318 1070225736 /nfs/dbraw/zinc/22/57/36/1070225736.db2.gz QSTMDKFTJZRZNG-UPVQGACJSA-N 1 3 455.643 3.555 20 0 JHADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(Br)cc1OCCCO ZINC001308793476 1070438857 /nfs/dbraw/zinc/43/88/57/1070438857.db2.gz QFYBXXJZOWLDBS-QXAHSBQVSA-N 1 3 455.437 3.894 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313669836 1070895304 /nfs/dbraw/zinc/89/53/04/1070895304.db2.gz DQUMOUCDAFRJJQ-HKBOAZHASA-N 1 3 451.663 3.999 20 0 JHADHO CCN(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccco1 ZINC001313672438 1070904120 /nfs/dbraw/zinc/90/41/20/1070904120.db2.gz OCKDRVQZRKRJHZ-QFIPXVFZSA-N 1 3 480.661 3.969 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001313695504 1070960062 /nfs/dbraw/zinc/96/00/62/1070960062.db2.gz PRNITSXPILSDIY-LADGPHEKSA-N 1 3 454.663 3.786 20 0 JHADHO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001313714398 1071012029 /nfs/dbraw/zinc/01/20/29/1071012029.db2.gz YEGRMJUGTPWRNZ-SSPYTLHUSA-N 1 3 472.653 3.782 20 0 JHADHO CC[N@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)C ZINC001313808344 1071232582 /nfs/dbraw/zinc/23/25/82/1071232582.db2.gz FRFONGMWROKEGN-UHFFFAOYSA-N 1 3 475.081 3.877 20 0 JHADHO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)C ZINC001313808344 1071232588 /nfs/dbraw/zinc/23/25/88/1071232588.db2.gz FRFONGMWROKEGN-UHFFFAOYSA-N 1 3 475.081 3.877 20 0 JHADHO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)CCC(F)(F)F ZINC001313810754 1071242731 /nfs/dbraw/zinc/24/27/31/1071242731.db2.gz WQTYPIXGKNMOHG-SJLPKXTDSA-N 1 3 485.986 3.941 20 0 JHADHO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)CCC(F)(F)F ZINC001313810754 1071242735 /nfs/dbraw/zinc/24/27/35/1071242735.db2.gz WQTYPIXGKNMOHG-SJLPKXTDSA-N 1 3 485.986 3.941 20 0 JHADHO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1)C1CCCCC1 ZINC001314863465 1071260343 /nfs/dbraw/zinc/26/03/43/1071260343.db2.gz DQFORJNINHXGSH-UHFFFAOYSA-N 1 3 460.711 3.680 20 0 JHADHO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1)C1CCCCC1 ZINC001314863465 1071260351 /nfs/dbraw/zinc/26/03/51/1071260351.db2.gz DQFORJNINHXGSH-UHFFFAOYSA-N 1 3 460.711 3.680 20 0 JHADHO CC[N@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001313818797 1071270172 /nfs/dbraw/zinc/27/01/72/1071270172.db2.gz ATUSAXMDDTVBAI-UHFFFAOYSA-N 1 3 456.679 3.723 20 0 JHADHO CC[N@@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001313818797 1071270185 /nfs/dbraw/zinc/27/01/85/1071270185.db2.gz ATUSAXMDDTVBAI-UHFFFAOYSA-N 1 3 456.679 3.723 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313860923 1071371892 /nfs/dbraw/zinc/37/18/92/1071371892.db2.gz NFKVCRCDUFAQGQ-XGHQBKJUSA-N 1 3 475.479 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313864055 1071385139 /nfs/dbraw/zinc/38/51/39/1071385139.db2.gz FULNRCGOQFYXBP-PMACEKPBSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313864055 1071385149 /nfs/dbraw/zinc/38/51/49/1071385149.db2.gz FULNRCGOQFYXBP-PMACEKPBSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001313871103 1071415887 /nfs/dbraw/zinc/41/58/87/1071415887.db2.gz WWGLXJFHSRIYGL-RTWAWAEBSA-N 1 3 451.663 3.788 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313871446 1071416788 /nfs/dbraw/zinc/41/67/88/1071416788.db2.gz ZIDXGSRFRRVIAE-VXKWHMMOSA-N 1 3 470.731 3.810 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931385 1071591633 /nfs/dbraw/zinc/59/16/33/1071591633.db2.gz YOIAOCPGVCOCBW-ZWEKWIFMSA-N 1 3 495.760 3.992 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931385 1071591638 /nfs/dbraw/zinc/59/16/38/1071591638.db2.gz YOIAOCPGVCOCBW-ZWEKWIFMSA-N 1 3 495.760 3.992 20 0 JHADHO CCO[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCC2CC[NH+](CC)CC2)CCOC1 ZINC001314134476 1072046608 /nfs/dbraw/zinc/04/66/08/1072046608.db2.gz IACWRUZSLKKFNI-HHHXNRCGSA-N 1 3 490.737 3.610 20 0 JHADHO CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1CC[NH+]1CCCCC1 ZINC001305985398 1068334662 /nfs/dbraw/zinc/33/46/62/1068334662.db2.gz JCTPVWFRRLDIFF-UHFFFAOYSA-N 1 3 454.663 3.683 20 0 JHADHO CCc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001305985983 1068336605 /nfs/dbraw/zinc/33/66/05/1068336605.db2.gz CTMSMGTTYLHRRR-QHCPKHFHSA-N 1 3 498.716 3.841 20 0 JHADHO CCc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305985983 1068336620 /nfs/dbraw/zinc/33/66/20/1068336620.db2.gz CTMSMGTTYLHRRR-QHCPKHFHSA-N 1 3 498.716 3.841 20 0 JHADHO [NH3+]C1([C@H]2CN(c3c4c(cnc3Cl)C3(CCN(Cc5ccccc5)CC3)OC4=O)C[C@@H]2CF)CC1 ZINC001164622516 719121098 /nfs/dbraw/zinc/12/10/98/719121098.db2.gz PELSCDHPWCSLBQ-ICSRJNTNSA-N 1 3 485.003 3.910 20 0 JHADHO Clc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)CNCC2 ZINC001164754997 720906376 /nfs/dbraw/zinc/90/63/76/720906376.db2.gz XSXLKROCEWDVAR-HFZDXXHNSA-N 1 3 468.045 3.531 20 0 JHADHO Clc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)CNCC2 ZINC001164754997 720906383 /nfs/dbraw/zinc/90/63/83/720906383.db2.gz XSXLKROCEWDVAR-HFZDXXHNSA-N 1 3 468.045 3.531 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)CCN1CCOC ZINC001306622037 1069311459 /nfs/dbraw/zinc/31/14/59/1069311459.db2.gz VCHXRDOOZHYWNN-QHCPKHFHSA-N 1 3 469.678 3.542 20 0 JHADHO COc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)cc1 ZINC001311343282 1069330623 /nfs/dbraw/zinc/33/06/23/1069330623.db2.gz CRXFFLZPYSYRBI-CVJWPJSTSA-N 1 3 450.627 3.899 20 0 JHADHO COc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)cc1 ZINC001311343282 1069330641 /nfs/dbraw/zinc/33/06/41/1069330641.db2.gz CRXFFLZPYSYRBI-CVJWPJSTSA-N 1 3 450.627 3.899 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001306646583 1069357342 /nfs/dbraw/zinc/35/73/42/1069357342.db2.gz LZTMOGAULACWOG-NHCUHLMSSA-N 1 3 475.081 3.877 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001306646583 1069357353 /nfs/dbraw/zinc/35/73/53/1069357353.db2.gz LZTMOGAULACWOG-NHCUHLMSSA-N 1 3 475.081 3.877 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001306646588 1069357699 /nfs/dbraw/zinc/35/76/99/1069357699.db2.gz LZTMOGAULACWOG-SFTDATJTSA-N 1 3 475.081 3.877 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001306646588 1069357713 /nfs/dbraw/zinc/35/77/13/1069357713.db2.gz LZTMOGAULACWOG-SFTDATJTSA-N 1 3 475.081 3.877 20 0 JHADHO C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819207 1069559249 /nfs/dbraw/zinc/55/92/49/1069559249.db2.gz GXIWYTBDYVMXSW-OZWPHOJSSA-N 1 3 457.569 3.522 20 0 JHADHO CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306808453 1069625089 /nfs/dbraw/zinc/62/50/89/1069625089.db2.gz MDWIKRFYRBTZRM-MBDNFAEBSA-N 1 3 491.725 3.700 20 0 JHADHO CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306808453 1069625092 /nfs/dbraw/zinc/62/50/92/1069625092.db2.gz MDWIKRFYRBTZRM-MBDNFAEBSA-N 1 3 491.725 3.700 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001307039250 1069763410 /nfs/dbraw/zinc/76/34/10/1069763410.db2.gz TUNMPJRTAGUHBF-FQEVSTJZSA-N 1 3 460.617 3.657 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001307039250 1069763422 /nfs/dbraw/zinc/76/34/22/1069763422.db2.gz TUNMPJRTAGUHBF-FQEVSTJZSA-N 1 3 460.617 3.657 20 0 JHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001313340165 1070331818 /nfs/dbraw/zinc/33/18/18/1070331818.db2.gz BJIIOSKEGIACEH-FTJBHMTQSA-N 1 3 456.675 3.614 20 0 JHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001313340165 1070331837 /nfs/dbraw/zinc/33/18/37/1070331837.db2.gz BJIIOSKEGIACEH-FTJBHMTQSA-N 1 3 456.675 3.614 20 0 JHADHO CCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313501259 1070524689 /nfs/dbraw/zinc/52/46/89/1070524689.db2.gz CUTDJHUNNBIAPW-FGZHOGPDSA-N 1 3 482.673 3.923 20 0 JHADHO CCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001313501259 1070524705 /nfs/dbraw/zinc/52/47/05/1070524705.db2.gz CUTDJHUNNBIAPW-FGZHOGPDSA-N 1 3 482.673 3.923 20 0 JHADHO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001314665475 1070797259 /nfs/dbraw/zinc/79/72/59/1070797259.db2.gz HQRCZUZCUGPDFW-UHFFFAOYSA-N 1 3 489.108 3.659 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001313652278 1070830026 /nfs/dbraw/zinc/83/00/26/1070830026.db2.gz RXXVZBKJZVTYSV-JOCHJYFZSA-N 1 3 481.689 3.942 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001313656566 1070851310 /nfs/dbraw/zinc/85/13/10/1070851310.db2.gz JWPKETBRACKYCA-LEWJYISDSA-N 1 3 488.652 3.589 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001313695509 1070959998 /nfs/dbraw/zinc/95/99/98/1070959998.db2.gz PRNITSXPILSDIY-VWNXMTODSA-N 1 3 454.663 3.786 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2C[NH+](CC)CC)C[C@H]1C ZINC001313703827 1070988641 /nfs/dbraw/zinc/98/86/41/1070988641.db2.gz GSDXLVHHKNZMHF-PQNGQFLHSA-N 1 3 454.663 3.591 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313725098 1071032063 /nfs/dbraw/zinc/03/20/63/1071032063.db2.gz ZFFVOURDBBYLHF-PKTZIBPZSA-N 1 3 468.690 3.597 20 0 JHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)cc1Br ZINC001310072353 1071098460 /nfs/dbraw/zinc/09/84/60/1071098460.db2.gz RQFTVKQPCVZIDE-LBPRGKRZSA-N 1 3 450.219 3.605 20 0 JHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)cc1Br ZINC001310072353 1071098474 /nfs/dbraw/zinc/09/84/74/1071098474.db2.gz RQFTVKQPCVZIDE-LBPRGKRZSA-N 1 3 450.219 3.605 20 0 JHADHO CN(CCn1c(-c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001314862537 1071256727 /nfs/dbraw/zinc/25/67/27/1071256727.db2.gz HFLFWIHMQAOQPH-UHFFFAOYSA-N 1 3 465.621 3.922 20 0 JHADHO CN(CCn1c(-c2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001314862537 1071256741 /nfs/dbraw/zinc/25/67/41/1071256741.db2.gz HFLFWIHMQAOQPH-UHFFFAOYSA-N 1 3 465.621 3.922 20 0 JHADHO CC[N@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818577 1071268841 /nfs/dbraw/zinc/26/88/41/1071268841.db2.gz LTTOGBKZPILWBY-FQEVSTJZSA-N 1 3 490.643 3.567 20 0 JHADHO CC[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818577 1071268853 /nfs/dbraw/zinc/26/88/53/1071268853.db2.gz LTTOGBKZPILWBY-FQEVSTJZSA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)C[C@H]1C ZINC001313858237 1071358915 /nfs/dbraw/zinc/35/89/15/1071358915.db2.gz ABCGMIDNUJDIMM-UXHICEINSA-N 1 3 454.619 3.579 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)C[C@H]1C ZINC001313858237 1071358927 /nfs/dbraw/zinc/35/89/27/1071358927.db2.gz ABCGMIDNUJDIMM-UXHICEINSA-N 1 3 454.619 3.579 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313858873 1071361414 /nfs/dbraw/zinc/36/14/14/1071361414.db2.gz CWIXMIOXSHMZSL-VAMGGRTRSA-N 1 3 458.651 3.612 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313858871 1071361681 /nfs/dbraw/zinc/36/16/81/1071361681.db2.gz CWIXMIOXSHMZSL-AQNXPRMDSA-N 1 3 458.651 3.612 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313860413 1071369413 /nfs/dbraw/zinc/36/94/13/1071369413.db2.gz KLOQBJMFFYMBKL-NJDAHSKKSA-N 1 3 464.662 3.984 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001313871921 1071419116 /nfs/dbraw/zinc/41/91/16/1071419116.db2.gz VPAYEOCBYUVXJM-WOJBJXKFSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(CC)[C@@H](C)C2)CC1 ZINC001313949106 1071635218 /nfs/dbraw/zinc/63/52/18/1071635218.db2.gz HUPKBZITJPSSLP-PMACEKPBSA-N 1 3 492.087 3.542 20 0 JHADHO CCN1CCN(C[C@@H](C)Cn2c(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951092 1071640682 /nfs/dbraw/zinc/64/06/82/1071640682.db2.gz FJCJXNKNSKDOMR-AOYPEHQESA-N 1 3 495.760 3.808 20 0 JHADHO CCN1CCN(C[C@@H](C)Cn2c(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951092 1071640686 /nfs/dbraw/zinc/64/06/86/1071640686.db2.gz FJCJXNKNSKDOMR-AOYPEHQESA-N 1 3 495.760 3.808 20 0 JHADHO CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001306208100 1068599206 /nfs/dbraw/zinc/59/92/06/1068599206.db2.gz VEHGTXFNKMXZCY-DEOSSOPVSA-N 1 3 452.691 3.963 20 0 JHADHO CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306208100 1068599214 /nfs/dbraw/zinc/59/92/14/1068599214.db2.gz VEHGTXFNKMXZCY-DEOSSOPVSA-N 1 3 452.691 3.963 20 0 JHADHO CCN(CC)Cc1nc2sc(C)c(C)c2c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680163 719638568 /nfs/dbraw/zinc/63/85/68/719638568.db2.gz QULIGOWMRFIVHF-UHFFFAOYSA-N 1 3 455.676 3.822 20 0 JHADHO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CCN1CCOC ZINC001306633422 1069336717 /nfs/dbraw/zinc/33/67/17/1069336717.db2.gz BMWAYSZNOHNAEL-CJRSTVEYSA-N 1 3 490.737 3.618 20 0 JHADHO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CCN1CCOC ZINC001306633422 1069336729 /nfs/dbraw/zinc/33/67/29/1069336729.db2.gz BMWAYSZNOHNAEL-CJRSTVEYSA-N 1 3 490.737 3.618 20 0 JHADHO CC[C@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311395271 1069359716 /nfs/dbraw/zinc/35/97/16/1069359716.db2.gz DLYIENJCECTEKR-ATKRNPRHSA-N 1 3 452.565 3.928 20 0 JHADHO CC[C@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001311395271 1069359731 /nfs/dbraw/zinc/35/97/31/1069359731.db2.gz DLYIENJCECTEKR-ATKRNPRHSA-N 1 3 452.565 3.928 20 0 JHADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306786685 1069589866 /nfs/dbraw/zinc/58/98/66/1069589866.db2.gz YOFDMVWZAHFZBL-YKSBVNFPSA-N 1 3 465.621 3.950 20 0 JHADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306786685 1069589871 /nfs/dbraw/zinc/58/98/71/1069589871.db2.gz YOFDMVWZAHFZBL-YKSBVNFPSA-N 1 3 465.621 3.950 20 0 JHADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306786684 1069590009 /nfs/dbraw/zinc/59/00/09/1069590009.db2.gz YOFDMVWZAHFZBL-RDPSFJRHSA-N 1 3 465.621 3.950 20 0 JHADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306786684 1069590013 /nfs/dbraw/zinc/59/00/13/1069590013.db2.gz YOFDMVWZAHFZBL-RDPSFJRHSA-N 1 3 465.621 3.950 20 0 JHADHO CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC001314169068 1069675555 /nfs/dbraw/zinc/67/55/55/1069675555.db2.gz TWJPGTSAJBQZOW-HBMCJLEFSA-N 1 3 470.662 3.613 20 0 JHADHO CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC001314169068 1069675557 /nfs/dbraw/zinc/67/55/57/1069675557.db2.gz TWJPGTSAJBQZOW-HBMCJLEFSA-N 1 3 470.662 3.613 20 0 JHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001307594556 1070071204 /nfs/dbraw/zinc/07/12/04/1070071204.db2.gz WHOUNLXRHUBRDW-VANUSSGQSA-N 1 3 453.602 3.883 20 0 JHADHO CC[C@@](C)(COc1ncccc1Cl)NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307593427 1070071026 /nfs/dbraw/zinc/07/10/26/1070071026.db2.gz ZBXPTYSVLCNAGJ-VWLOTQADSA-N 1 3 459.034 3.961 20 0 JHADHO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001314399285 1070259449 /nfs/dbraw/zinc/25/94/49/1070259449.db2.gz SYTPXGFVZJNUKX-JOCHJYFZSA-N 1 3 460.642 3.815 20 0 JHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001308078422 1070305316 /nfs/dbraw/zinc/30/53/16/1070305316.db2.gz ROKUOEOTTFOEIN-ISKFKSNPSA-N 1 3 472.674 3.512 20 0 JHADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001308078422 1070305332 /nfs/dbraw/zinc/30/53/32/1070305332.db2.gz ROKUOEOTTFOEIN-ISKFKSNPSA-N 1 3 472.674 3.512 20 0 JHADHO CN(C)C[C@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001313263600 1070309884 /nfs/dbraw/zinc/30/98/84/1070309884.db2.gz SMQJLXYNSWKLJL-QHCPKHFHSA-N 1 3 459.034 3.923 20 0 JHADHO CN(C)C[C@H](NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001313263600 1070309903 /nfs/dbraw/zinc/30/99/03/1070309903.db2.gz SMQJLXYNSWKLJL-QHCPKHFHSA-N 1 3 459.034 3.923 20 0 JHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001313340163 1070331415 /nfs/dbraw/zinc/33/14/15/1070331415.db2.gz BJIIOSKEGIACEH-CLJLJLNGSA-N 1 3 456.675 3.614 20 0 JHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001313340163 1070331432 /nfs/dbraw/zinc/33/14/32/1070331432.db2.gz BJIIOSKEGIACEH-CLJLJLNGSA-N 1 3 456.675 3.614 20 0 JHADHO CC1CC[NH+](CCCNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001309025495 1070492104 /nfs/dbraw/zinc/49/21/04/1070492104.db2.gz ZVIGWAOJIXPTTJ-IZZNHLLZSA-N 1 3 473.658 3.835 20 0 JHADHO CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653583 1070766746 /nfs/dbraw/zinc/76/67/46/1070766746.db2.gz ZZRYCWPQBGKZPO-JTHBVZDNSA-N 1 3 472.653 3.782 20 0 JHADHO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313703715 1070988051 /nfs/dbraw/zinc/98/80/51/1070988051.db2.gz DEYNEOCPFMIGGJ-HSZRJFAPSA-N 1 3 454.663 3.940 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313858872 1071361532 /nfs/dbraw/zinc/36/15/32/1071361532.db2.gz CWIXMIOXSHMZSL-HSALFYBXSA-N 1 3 458.651 3.612 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313859340 1071363829 /nfs/dbraw/zinc/36/38/29/1071363829.db2.gz GABJVPTUNUCMDZ-RBUKOAKNSA-N 1 3 492.615 3.576 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313865913 1071394429 /nfs/dbraw/zinc/39/44/29/1071394429.db2.gz IWICSRXZRUETOO-RTWAWAEBSA-N 1 3 470.662 3.613 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866902 1071396578 /nfs/dbraw/zinc/39/65/78/1071396578.db2.gz HRDNRBGTGWGTPW-PKTZIBPZSA-N 1 3 468.690 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866902 1071396586 /nfs/dbraw/zinc/39/65/86/1071396586.db2.gz HRDNRBGTGWGTPW-PKTZIBPZSA-N 1 3 468.690 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313868181 1071403228 /nfs/dbraw/zinc/40/32/28/1071403228.db2.gz BEFUIMVTJQBMEX-PKTZIBPZSA-N 1 3 461.658 3.705 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313868181 1071403231 /nfs/dbraw/zinc/40/32/31/1071403231.db2.gz BEFUIMVTJQBMEX-PKTZIBPZSA-N 1 3 461.658 3.705 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313868511 1071404416 /nfs/dbraw/zinc/40/44/16/1071404416.db2.gz NWHONMXFJQGGRO-XZOQPEGZSA-N 1 3 468.690 3.867 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313870645 1071414317 /nfs/dbraw/zinc/41/43/17/1071414317.db2.gz VFSUCCOSJKBNMQ-DYXWJJEUSA-N 1 3 459.708 3.673 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313870645 1071414320 /nfs/dbraw/zinc/41/43/20/1071414320.db2.gz VFSUCCOSJKBNMQ-DYXWJJEUSA-N 1 3 459.708 3.673 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313871563 1071417527 /nfs/dbraw/zinc/41/75/27/1071417527.db2.gz UKPLFYBWCMWGRR-ROUUACIJSA-N 1 3 479.044 3.767 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@@H]1C ZINC001313872804 1071422177 /nfs/dbraw/zinc/42/21/77/1071422177.db2.gz XIZKWPBUFKVKRR-FCHUYYIVSA-N 1 3 460.711 3.819 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313874873 1071431462 /nfs/dbraw/zinc/43/14/62/1071431462.db2.gz QRMQLSTWYDEFHU-RTBURBONSA-N 1 3 461.054 3.628 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313877430 1071441594 /nfs/dbraw/zinc/44/15/94/1071441594.db2.gz TZXMLXWULVFOKY-ACRUOGEOSA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313877430 1071441602 /nfs/dbraw/zinc/44/16/02/1071441602.db2.gz TZXMLXWULVFOKY-ACRUOGEOSA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313877959 1071443895 /nfs/dbraw/zinc/44/38/95/1071443895.db2.gz YAOQUWYXVRGFNI-CZYKHXBRSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313877959 1071443903 /nfs/dbraw/zinc/44/39/03/1071443903.db2.gz YAOQUWYXVRGFNI-CZYKHXBRSA-N 1 3 454.663 3.993 20 0 JHADHO CCc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(C3CCOCC3)CC2)[NH+](C)C)cc1 ZINC001305921682 1068217393 /nfs/dbraw/zinc/21/73/93/1068217393.db2.gz ZUIZAWGGEYTOGO-RUZDIDTESA-N 1 3 468.690 3.643 20 0 JHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC001310911763 1069219190 /nfs/dbraw/zinc/21/91/90/1069219190.db2.gz LSURGTWRWMDEOA-LBPRGKRZSA-N 1 3 455.319 3.741 20 0 JHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC001310911763 1069219205 /nfs/dbraw/zinc/21/92/05/1069219205.db2.gz LSURGTWRWMDEOA-LBPRGKRZSA-N 1 3 455.319 3.741 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CC[NH+](C)CC2)CCN1CCOC ZINC001306620435 1069306466 /nfs/dbraw/zinc/30/64/66/1069306466.db2.gz OYUCXSMAACWVCF-NRFANRHFSA-N 1 3 490.718 3.611 20 0 JHADHO Cc1sc2nc(CN3CCCCC3)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164679452 719638256 /nfs/dbraw/zinc/63/82/56/719638256.db2.gz AWRNRXQJNHNINR-UHFFFAOYSA-N 1 3 467.687 3.966 20 0 JHADHO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164747365 720908461 /nfs/dbraw/zinc/90/84/61/720908461.db2.gz CTBYEPYGHKFFMX-XTEPFMGCSA-N 1 3 461.654 3.828 20 0 JHADHO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164747365 720908469 /nfs/dbraw/zinc/90/84/69/720908469.db2.gz CTBYEPYGHKFFMX-XTEPFMGCSA-N 1 3 461.654 3.828 20 0 JHADHO FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912275 721737420 /nfs/dbraw/zinc/73/74/20/721737420.db2.gz NPTCIPZJNVHGHN-XMMPIXPASA-N 1 3 457.569 3.593 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357598 1069341071 /nfs/dbraw/zinc/34/10/71/1069341071.db2.gz JVENAXOZTSLWSS-GJZUVCINSA-N 1 3 451.659 3.623 20 0 JHADHO COc1cc(C)c([C@H](C)NC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657051 1070106334 /nfs/dbraw/zinc/10/63/34/1070106334.db2.gz GRWIXLXPCMBOGY-ACRUOGEOSA-N 1 3 453.627 3.936 20 0 JHADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)N(C)C)cc1 ZINC001312818415 1070140636 /nfs/dbraw/zinc/14/06/36/1070140636.db2.gz MPZMFSZTVHISHD-VWLOTQADSA-N 1 3 457.707 3.547 20 0 JHADHO CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001314384927 1070229976 /nfs/dbraw/zinc/22/99/76/1070229976.db2.gz LKYZXYULVNFTNG-QHCPKHFHSA-N 1 3 454.663 3.646 20 0 JHADHO CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001314384927 1070229983 /nfs/dbraw/zinc/22/99/83/1070229983.db2.gz LKYZXYULVNFTNG-QHCPKHFHSA-N 1 3 454.663 3.646 20 0 JHADHO OC1(CNCc2cnn(-c3ccc(Br)cc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001308438744 1070375898 /nfs/dbraw/zinc/37/58/98/1070375898.db2.gz FZHDNDNHDVLMMP-UHFFFAOYSA-N 1 3 455.400 3.752 20 0 JHADHO CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653580 1070765942 /nfs/dbraw/zinc/76/59/42/1070765942.db2.gz ZZRYCWPQBGKZPO-FYYLOGMGSA-N 1 3 472.653 3.782 20 0 JHADHO CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1)c1cccc(F)c1 ZINC001314657076 1070776335 /nfs/dbraw/zinc/77/63/35/1070776335.db2.gz VPJREIPXVWYUDH-DEOSSOPVSA-N 1 3 486.680 3.857 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001313666632 1070884941 /nfs/dbraw/zinc/88/49/41/1070884941.db2.gz IKDMABJTARRQRJ-QFIPXVFZSA-N 1 3 454.663 3.960 20 0 JHADHO CCN(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313676487 1070921439 /nfs/dbraw/zinc/92/14/39/1070921439.db2.gz FBJZPNYQQSXKBP-SIKLNZKXSA-N 1 3 460.692 3.893 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001313695502 1070960023 /nfs/dbraw/zinc/96/00/23/1070960023.db2.gz PRNITSXPILSDIY-ISKFKSNPSA-N 1 3 454.663 3.786 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313859339 1071363672 /nfs/dbraw/zinc/36/36/72/1071363672.db2.gz GABJVPTUNUCMDZ-OALUTQOASA-N 1 3 492.615 3.576 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313859341 1071363754 /nfs/dbraw/zinc/36/37/54/1071363754.db2.gz GABJVPTUNUCMDZ-RTBURBONSA-N 1 3 492.615 3.576 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001313863212 1071380621 /nfs/dbraw/zinc/38/06/21/1071380621.db2.gz RZGFIWLPWWGWCK-YRPNKDGESA-N 1 3 458.626 3.959 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001313863212 1071380635 /nfs/dbraw/zinc/38/06/35/1071380635.db2.gz RZGFIWLPWWGWCK-YRPNKDGESA-N 1 3 458.626 3.959 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313865908 1071394381 /nfs/dbraw/zinc/39/43/81/1071394381.db2.gz IWICSRXZRUETOO-LEWJYISDSA-N 1 3 470.662 3.613 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313869250 1071407402 /nfs/dbraw/zinc/40/74/02/1071407402.db2.gz OZMIZEATOHFJLS-QWQGWLCTSA-N 1 3 460.711 3.849 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313869250 1071407407 /nfs/dbraw/zinc/40/74/07/1071407407.db2.gz OZMIZEATOHFJLS-QWQGWLCTSA-N 1 3 460.711 3.849 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313873624 1071425701 /nfs/dbraw/zinc/42/57/01/1071425701.db2.gz MOUCJIBBNPLHOL-VQTJNVASSA-N 1 3 472.703 3.700 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313874504 1071428877 /nfs/dbraw/zinc/42/88/77/1071428877.db2.gz IHLCEZHFNMUAIF-OIBXWCBGSA-N 1 3 470.710 3.569 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313874504 1071428880 /nfs/dbraw/zinc/42/88/80/1071428880.db2.gz IHLCEZHFNMUAIF-OIBXWCBGSA-N 1 3 470.710 3.569 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313875308 1071432899 /nfs/dbraw/zinc/43/28/99/1071432899.db2.gz PVIKPYMJQIEMJX-FGZHOGPDSA-N 1 3 453.679 3.837 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313875308 1071432910 /nfs/dbraw/zinc/43/29/10/1071432910.db2.gz PVIKPYMJQIEMJX-FGZHOGPDSA-N 1 3 453.679 3.837 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313875970 1071436829 /nfs/dbraw/zinc/43/68/29/1071436829.db2.gz NFXCDJLVQMZGNC-HFMPRLQTSA-N 1 3 454.663 3.733 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313877375 1071441674 /nfs/dbraw/zinc/44/16/74/1071441674.db2.gz STQYYKWQZPDFEH-ZFGGDYGUSA-N 1 3 468.690 3.917 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313877375 1071441676 /nfs/dbraw/zinc/44/16/76/1071441676.db2.gz STQYYKWQZPDFEH-ZFGGDYGUSA-N 1 3 468.690 3.917 20 0 JHADHO CC[NH+]1CCC(CCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001313877553 1071442364 /nfs/dbraw/zinc/44/23/64/1071442364.db2.gz VNJDTLNHTLXNBP-UHFFFAOYSA-N 1 3 484.689 3.862 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313877306 1071440729 /nfs/dbraw/zinc/44/07/29/1071440729.db2.gz WMTQBAWTGUAICN-ACESQOTJSA-N 1 3 455.695 3.961 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313877306 1071440737 /nfs/dbraw/zinc/44/07/37/1071440737.db2.gz WMTQBAWTGUAICN-ACESQOTJSA-N 1 3 455.695 3.961 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313883117 1071460791 /nfs/dbraw/zinc/46/07/91/1071460791.db2.gz IGCMVDORTXRBKL-HBMCJLEFSA-N 1 3 458.626 3.647 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313883117 1071460797 /nfs/dbraw/zinc/46/07/97/1071460797.db2.gz IGCMVDORTXRBKL-HBMCJLEFSA-N 1 3 458.626 3.647 20 0 JHADHO CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001313944722 1071624913 /nfs/dbraw/zinc/62/49/13/1071624913.db2.gz GECWDWQRPGMCRW-QHCPKHFHSA-N 1 3 474.097 3.545 20 0 JHADHO CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001313944722 1071624918 /nfs/dbraw/zinc/62/49/18/1071624918.db2.gz GECWDWQRPGMCRW-QHCPKHFHSA-N 1 3 474.097 3.545 20 0 JHADHO CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986515 1068338279 /nfs/dbraw/zinc/33/82/79/1068338279.db2.gz XLUSGKUODPSSQZ-SFTDATJTSA-N 1 3 454.663 3.823 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306621274 1069308690 /nfs/dbraw/zinc/30/86/90/1069308690.db2.gz XOXVYZPIIZQGPI-QNWVGRARSA-N 1 3 472.678 3.904 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306621274 1069308704 /nfs/dbraw/zinc/30/87/04/1069308704.db2.gz XOXVYZPIIZQGPI-QNWVGRARSA-N 1 3 472.678 3.904 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306621273 1069309103 /nfs/dbraw/zinc/30/91/03/1069309103.db2.gz XOXVYZPIIZQGPI-MQSCRBSSSA-N 1 3 472.678 3.904 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306621273 1069309119 /nfs/dbraw/zinc/30/91/19/1069309119.db2.gz XOXVYZPIIZQGPI-MQSCRBSSSA-N 1 3 472.678 3.904 20 0 JHADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)cc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745198 720850368 /nfs/dbraw/zinc/85/03/68/720850368.db2.gz MPJPVXWGDVUPTB-GIFXNVAJSA-N 1 3 457.626 3.806 20 0 JHADHO c1ncn(C[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)cc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745198 720850371 /nfs/dbraw/zinc/85/03/71/720850371.db2.gz MPJPVXWGDVUPTB-GIFXNVAJSA-N 1 3 457.626 3.806 20 0 JHADHO CC1CCN([C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cccs2)CC1 ZINC001311569771 1069442668 /nfs/dbraw/zinc/44/26/68/1069442668.db2.gz GTSZLGOMXRNCDF-XZOQPEGZSA-N 1 3 456.656 3.587 20 0 JHADHO CC1CCN([C@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccs2)CC1 ZINC001311569771 1069442671 /nfs/dbraw/zinc/44/26/71/1069442671.db2.gz GTSZLGOMXRNCDF-XZOQPEGZSA-N 1 3 456.656 3.587 20 0 JHADHO CCC[N@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306802338 1069608829 /nfs/dbraw/zinc/60/88/29/1069608829.db2.gz IYVKAMVWHRJCIA-UHFFFAOYSA-N 1 3 464.662 3.988 20 0 JHADHO CCC[N@@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306802338 1069608835 /nfs/dbraw/zinc/60/88/35/1069608835.db2.gz IYVKAMVWHRJCIA-UHFFFAOYSA-N 1 3 464.662 3.988 20 0 JHADHO CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001306802754 1069610209 /nfs/dbraw/zinc/61/02/09/1069610209.db2.gz PVCJCCCRDAXRBS-HSZRJFAPSA-N 1 3 474.097 3.547 20 0 JHADHO CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001306802754 1069610220 /nfs/dbraw/zinc/61/02/20/1069610220.db2.gz PVCJCCCRDAXRBS-HSZRJFAPSA-N 1 3 474.097 3.547 20 0 JHADHO CCC[NH+]1CCC(NC(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)CC1 ZINC001311975776 1069646226 /nfs/dbraw/zinc/64/62/26/1069646226.db2.gz MQDKMMFWCFRSGT-UHFFFAOYSA-N 1 3 451.453 3.929 20 0 JHADHO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC001312252631 1069810352 /nfs/dbraw/zinc/81/03/52/1069810352.db2.gz KLCHTMYPCZQWDY-RCZVLFRGSA-N 1 3 450.627 3.666 20 0 JHADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001312498405 1069975017 /nfs/dbraw/zinc/97/50/17/1069975017.db2.gz CKRQDZNPJCVNIM-AREMUKBSSA-N 1 3 450.627 3.584 20 0 JHADHO CN(CCNC(=O)C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1)Cc1ccccc1 ZINC001307504205 1070022417 /nfs/dbraw/zinc/02/24/17/1070022417.db2.gz OUCUOELVIOCUBB-UHFFFAOYSA-N 1 3 459.537 3.511 20 0 JHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749553 1070164919 /nfs/dbraw/zinc/16/49/19/1070164919.db2.gz BHKVLGXJHXDKHD-IBGZPJMESA-N 1 3 454.640 3.731 20 0 JHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749553 1070164926 /nfs/dbraw/zinc/16/49/26/1070164926.db2.gz BHKVLGXJHXDKHD-IBGZPJMESA-N 1 3 454.640 3.731 20 0 JHADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001308177233 1070337472 /nfs/dbraw/zinc/33/74/72/1070337472.db2.gz HHUZCDWIBBMYSI-KCWPFWIISA-N 1 3 470.658 3.551 20 0 JHADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc(OCC(F)(F)F)c(F)c2)cc1 ZINC001308281364 1070351885 /nfs/dbraw/zinc/35/18/85/1070351885.db2.gz CCJSRJURBCKVNI-UHFFFAOYSA-N 1 3 453.480 3.882 20 0 JHADHO CCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313501261 1070524484 /nfs/dbraw/zinc/52/44/84/1070524484.db2.gz CUTDJHUNNBIAPW-YADHBBJMSA-N 1 3 482.673 3.923 20 0 JHADHO CCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001313501261 1070524498 /nfs/dbraw/zinc/52/44/98/1070524498.db2.gz CUTDJHUNNBIAPW-YADHBBJMSA-N 1 3 482.673 3.923 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001313668670 1070892825 /nfs/dbraw/zinc/89/28/25/1070892825.db2.gz RKVWCLCVNZWOFV-DHIUTWEWSA-N 1 3 484.689 3.585 20 0 JHADHO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 ZINC001313677418 1070925086 /nfs/dbraw/zinc/92/50/86/1070925086.db2.gz KFBVFHUGNQCBPO-RPWUZVMVSA-N 1 3 454.663 3.643 20 0 JHADHO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)CC1)c1ccccc1 ZINC001313677417 1070925206 /nfs/dbraw/zinc/92/52/06/1070925206.db2.gz KFBVFHUGNQCBPO-DNQXCXABSA-N 1 3 454.663 3.643 20 0 JHADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001313704016 1070989296 /nfs/dbraw/zinc/98/92/96/1070989296.db2.gz KYYHLDXUKWPJSX-RUZDIDTESA-N 1 3 495.716 3.537 20 0 JHADHO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313704885 1070991654 /nfs/dbraw/zinc/99/16/54/1070991654.db2.gz OMMUUKCVOKHHIE-QHCPKHFHSA-N 1 3 454.663 3.593 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001313721495 1071024640 /nfs/dbraw/zinc/02/46/40/1071024640.db2.gz DVMBWJXDYRABDZ-JOCHJYFZSA-N 1 3 454.663 3.532 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313727686 1071037796 /nfs/dbraw/zinc/03/77/96/1071037796.db2.gz YVXGLCSRHVVYKJ-RPWUZVMVSA-N 1 3 498.716 3.894 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313860817 1071371822 /nfs/dbraw/zinc/37/18/22/1071371822.db2.gz OPVFDGKMTLNWGE-ISJBWFOZSA-N 1 3 499.729 3.503 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313873707 1071426495 /nfs/dbraw/zinc/42/64/95/1071426495.db2.gz LPHVIGYVIUDNNS-WRALFONMSA-N 1 3 461.658 3.794 20 0 JHADHO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493760 1071433531 /nfs/dbraw/zinc/43/35/31/1071433531.db2.gz KZOFYVURUSLSCY-SDHSZQHLSA-N 1 3 458.647 3.529 20 0 JHADHO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493760 1071433533 /nfs/dbraw/zinc/43/35/33/1071433533.db2.gz KZOFYVURUSLSCY-SDHSZQHLSA-N 1 3 458.647 3.529 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313877307 1071440929 /nfs/dbraw/zinc/44/09/29/1071440929.db2.gz WMTQBAWTGUAICN-BJESRGMDSA-N 1 3 455.695 3.961 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313877307 1071440935 /nfs/dbraw/zinc/44/09/35/1071440935.db2.gz WMTQBAWTGUAICN-BJESRGMDSA-N 1 3 455.695 3.961 20 0 JHADHO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001313885613 1071467328 /nfs/dbraw/zinc/46/73/28/1071467328.db2.gz FEUSFMGXOIFBOZ-GOSISDBHSA-N 1 3 461.054 3.869 20 0 JHADHO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001313885613 1071467335 /nfs/dbraw/zinc/46/73/35/1071467335.db2.gz FEUSFMGXOIFBOZ-GOSISDBHSA-N 1 3 461.054 3.869 20 0 JHADHO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313911960 1071539019 /nfs/dbraw/zinc/53/90/19/1071539019.db2.gz GCYWBQLCDHKMPN-NRFANRHFSA-N 1 3 470.662 3.661 20 0 JHADHO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313911960 1071539025 /nfs/dbraw/zinc/53/90/25/1071539025.db2.gz GCYWBQLCDHKMPN-NRFANRHFSA-N 1 3 470.662 3.661 20 0 JHADHO CCc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(C3CCOCC3)CC2)[NH+](C)C)cc1 ZINC001305921683 1068217504 /nfs/dbraw/zinc/21/75/04/1068217504.db2.gz ZUIZAWGGEYTOGO-VWLOTQADSA-N 1 3 468.690 3.643 20 0 JHADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001310743120 1069146198 /nfs/dbraw/zinc/14/61/98/1069146198.db2.gz JSZNTMUGCSFOIT-KRWDZBQOSA-N 1 3 451.011 3.530 20 0 JHADHO CN(Cc1ccc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)nc1)C1CC1 ZINC001164630316 719138287 /nfs/dbraw/zinc/13/82/87/719138287.db2.gz ITHJSVFWNUNKKM-UHFFFAOYSA-N 1 3 468.609 3.919 20 0 JHADHO CC[C@@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001311395272 1069359792 /nfs/dbraw/zinc/35/97/92/1069359792.db2.gz DLYIENJCECTEKR-ORFBVSJDSA-N 1 3 452.565 3.928 20 0 JHADHO CC[C@@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001311395272 1069359810 /nfs/dbraw/zinc/35/98/10/1069359810.db2.gz DLYIENJCECTEKR-ORFBVSJDSA-N 1 3 452.565 3.928 20 0 JHADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001306784908 1069586153 /nfs/dbraw/zinc/58/61/53/1069586153.db2.gz OZQXIQXEJZSQOA-FPOVZHCZSA-N 1 3 453.660 3.873 20 0 JHADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001306784908 1069586156 /nfs/dbraw/zinc/58/61/56/1069586156.db2.gz OZQXIQXEJZSQOA-FPOVZHCZSA-N 1 3 453.660 3.873 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)C1 ZINC001307044490 1069778162 /nfs/dbraw/zinc/77/81/62/1069778162.db2.gz GLHYKQIDTOHHMF-HKBOAZHASA-N 1 3 458.626 3.647 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)C1 ZINC001307044490 1069778175 /nfs/dbraw/zinc/77/81/75/1069778175.db2.gz GLHYKQIDTOHHMF-HKBOAZHASA-N 1 3 458.626 3.647 20 0 JHADHO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC001312252633 1069810601 /nfs/dbraw/zinc/81/06/01/1069810601.db2.gz KLCHTMYPCZQWDY-RDGATRHJSA-N 1 3 450.627 3.666 20 0 JHADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001307057633 1069834835 /nfs/dbraw/zinc/83/48/35/1069834835.db2.gz WLUDQDXIYXEUEC-LADGPHEKSA-N 1 3 454.663 3.786 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001307058917 1069841525 /nfs/dbraw/zinc/84/15/25/1069841525.db2.gz OPXYJSPTPLMGRZ-XQBPLPMBSA-N 1 3 459.708 3.817 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001307058917 1069841554 /nfs/dbraw/zinc/84/15/54/1069841554.db2.gz OPXYJSPTPLMGRZ-XQBPLPMBSA-N 1 3 459.708 3.817 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314219391 1069862710 /nfs/dbraw/zinc/86/27/10/1069862710.db2.gz YDYQXFCIVFITCV-VJBWXMMDSA-N 1 3 484.689 3.907 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001314219391 1069862728 /nfs/dbraw/zinc/86/27/28/1069862728.db2.gz YDYQXFCIVFITCV-VJBWXMMDSA-N 1 3 484.689 3.907 20 0 JHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001312500280 1069975612 /nfs/dbraw/zinc/97/56/12/1069975612.db2.gz OTBVIVXBZYJCAB-AHWVRZQESA-N 1 3 458.691 3.862 20 0 JHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC001312500280 1069975622 /nfs/dbraw/zinc/97/56/22/1069975622.db2.gz OTBVIVXBZYJCAB-AHWVRZQESA-N 1 3 458.691 3.862 20 0 JHADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)N(C)C)cc1 ZINC001312818413 1070140744 /nfs/dbraw/zinc/14/07/44/1070140744.db2.gz MPZMFSZTVHISHD-RUZDIDTESA-N 1 3 457.707 3.547 20 0 JHADHO COc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001307763637 1070173577 /nfs/dbraw/zinc/17/35/77/1070173577.db2.gz PNJTZGBODNBGNU-CBQGHPETSA-N 1 3 450.583 3.833 20 0 JHADHO COc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001307763637 1070173584 /nfs/dbraw/zinc/17/35/84/1070173584.db2.gz PNJTZGBODNBGNU-CBQGHPETSA-N 1 3 450.583 3.833 20 0 JHADHO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCO2 ZINC001308457187 1070378411 /nfs/dbraw/zinc/37/84/11/1070378411.db2.gz PHZWQRFFQXIWBS-QHCPKHFHSA-N 1 3 458.647 3.832 20 0 JHADHO CCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CC[N@H+]2CC=CCC2)cc1OC ZINC001313501260 1070524333 /nfs/dbraw/zinc/52/43/33/1070524333.db2.gz CUTDJHUNNBIAPW-VXKWHMMOSA-N 1 3 482.673 3.923 20 0 JHADHO CCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001313501260 1070524343 /nfs/dbraw/zinc/52/43/43/1070524343.db2.gz CUTDJHUNNBIAPW-VXKWHMMOSA-N 1 3 482.673 3.923 20 0 JHADHO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001313571768 1070686231 /nfs/dbraw/zinc/68/62/31/1070686231.db2.gz GSNVUKZHYAAIBE-UHFFFAOYSA-N 1 3 461.658 3.927 20 0 JHADHO CC[N@@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001313571768 1070686240 /nfs/dbraw/zinc/68/62/40/1070686240.db2.gz GSNVUKZHYAAIBE-UHFFFAOYSA-N 1 3 461.658 3.927 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313668662 1070892690 /nfs/dbraw/zinc/89/26/90/1070892690.db2.gz RHBVWCRTBJOAEN-RPWUZVMVSA-N 1 3 498.716 3.894 20 0 JHADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001313701765 1070981387 /nfs/dbraw/zinc/98/13/87/1070981387.db2.gz YFURKRZJTACXIX-RUZDIDTESA-N 1 3 495.716 3.537 20 0 JHADHO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001313704869 1070991691 /nfs/dbraw/zinc/99/16/91/1070991691.db2.gz NXLBUEXRMWJQNI-XMMPIXPASA-N 1 3 495.716 3.678 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001313724340 1071030591 /nfs/dbraw/zinc/03/05/91/1071030591.db2.gz RJLNFMCAJQWMNZ-HXUWFJFHSA-N 1 3 475.081 3.877 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313861282 1071373491 /nfs/dbraw/zinc/37/34/91/1071373491.db2.gz QCGFUZUVOKHETK-FGZHOGPDSA-N 1 3 482.677 3.501 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313864057 1071385394 /nfs/dbraw/zinc/38/53/94/1071385394.db2.gz FULNRCGOQFYXBP-UXHICEINSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313864057 1071385402 /nfs/dbraw/zinc/38/54/02/1071385402.db2.gz FULNRCGOQFYXBP-UXHICEINSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001313864603 1071387047 /nfs/dbraw/zinc/38/70/47/1071387047.db2.gz ZDCTWUHFVHDJAU-MSOLQXFVSA-N 1 3 463.468 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001313864603 1071387057 /nfs/dbraw/zinc/38/70/57/1071387057.db2.gz ZDCTWUHFVHDJAU-MSOLQXFVSA-N 1 3 463.468 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866899 1071396461 /nfs/dbraw/zinc/39/64/61/1071396461.db2.gz HRDNRBGTGWGTPW-GOTSBHOMSA-N 1 3 468.690 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866899 1071396470 /nfs/dbraw/zinc/39/64/70/1071396470.db2.gz HRDNRBGTGWGTPW-GOTSBHOMSA-N 1 3 468.690 3.941 20 0 JHADHO CCc1ccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2C[C@H](C)[NH+](CC)CC)cc1 ZINC001305936443 1068239700 /nfs/dbraw/zinc/23/97/00/1068239700.db2.gz NIKUEAQPMHHHGA-QFIPXVFZSA-N 1 3 468.690 3.786 20 0 JHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001310675152 1069103312 /nfs/dbraw/zinc/10/33/12/1069103312.db2.gz OVJBMNRRKVDUDG-LBPRGKRZSA-N 1 3 455.319 3.741 20 0 JHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001310675152 1069103316 /nfs/dbraw/zinc/10/33/16/1069103316.db2.gz OVJBMNRRKVDUDG-LBPRGKRZSA-N 1 3 455.319 3.741 20 0 JHADHO CCC[C@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1CCOC ZINC001306615134 1069295223 /nfs/dbraw/zinc/29/52/23/1069295223.db2.gz DRBLRKHFTYUIJO-FTJBHMTQSA-N 1 3 468.690 3.826 20 0 JHADHO CCC[C@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1CCOC ZINC001306615134 1069295236 /nfs/dbraw/zinc/29/52/36/1069295236.db2.gz DRBLRKHFTYUIJO-FTJBHMTQSA-N 1 3 468.690 3.826 20 0 JHADHO CCC[C@H]1CN(c2nnc(C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1CCOC ZINC001306615139 1069295316 /nfs/dbraw/zinc/29/53/16/1069295316.db2.gz DRBLRKHFTYUIJO-UIOOFZCWSA-N 1 3 468.690 3.826 20 0 JHADHO CCC[C@H]1CN(c2nnc(C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1CCOC ZINC001306615139 1069295328 /nfs/dbraw/zinc/29/53/28/1069295328.db2.gz DRBLRKHFTYUIJO-UIOOFZCWSA-N 1 3 468.690 3.826 20 0 JHADHO [NH3+]C1([C@@H]2CN(c3c4c(cnc3Cl)C3(CCN(Cc5ccccc5)CC3)OC4=O)C[C@H]2CF)CC1 ZINC001164622521 719121612 /nfs/dbraw/zinc/12/16/12/719121612.db2.gz PELSCDHPWCSLBQ-UYAOXDASSA-N 1 3 485.003 3.910 20 0 JHADHO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001306631602 1069332511 /nfs/dbraw/zinc/33/25/11/1069332511.db2.gz SOUVNGCIUUFJIZ-QFIPXVFZSA-N 1 3 462.727 3.926 20 0 JHADHO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001306631602 1069332523 /nfs/dbraw/zinc/33/25/23/1069332523.db2.gz SOUVNGCIUUFJIZ-QFIPXVFZSA-N 1 3 462.727 3.926 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)CCN1CCOC ZINC001306652773 1069363713 /nfs/dbraw/zinc/36/37/13/1069363713.db2.gz YDYXMXZCUIOMCQ-RPWUZVMVSA-N 1 3 454.663 3.757 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)CCN1CCOC ZINC001306652773 1069363719 /nfs/dbraw/zinc/36/37/19/1069363719.db2.gz YDYXMXZCUIOMCQ-RPWUZVMVSA-N 1 3 454.663 3.757 20 0 JHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069370036 /nfs/dbraw/zinc/37/00/36/1069370036.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 1 3 455.691 3.661 20 0 JHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069370044 /nfs/dbraw/zinc/37/00/44/1069370044.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 1 3 455.691 3.661 20 0 JHADHO CCCC[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC001306682505 1069413949 /nfs/dbraw/zinc/41/39/49/1069413949.db2.gz JDZFWFOJFYBPHI-UHFFFAOYSA-N 1 3 475.479 3.972 20 0 JHADHO CCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC001306682505 1069413958 /nfs/dbraw/zinc/41/39/58/1069413958.db2.gz JDZFWFOJFYBPHI-UHFFFAOYSA-N 1 3 475.479 3.972 20 0 JHADHO NC(=O)c1ccc(NC(=O)CCN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1Cl ZINC001307515367 1070028635 /nfs/dbraw/zinc/02/86/35/1070028635.db2.gz SREZDTJWPKDVRK-RUZDIDTESA-N 1 3 455.002 3.756 20 0 JHADHO NC(=O)c1ccc(NC(=O)CCN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1Cl ZINC001307515367 1070028650 /nfs/dbraw/zinc/02/86/50/1070028650.db2.gz SREZDTJWPKDVRK-RUZDIDTESA-N 1 3 455.002 3.756 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC001309294746 1070676623 /nfs/dbraw/zinc/67/66/23/1070676623.db2.gz KREFNUPIOOLHQK-GVXSCFBNSA-N 1 3 457.684 3.859 20 0 JHADHO C[NH+](C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)C1CC1 ZINC001314655203 1070771684 /nfs/dbraw/zinc/77/16/84/1070771684.db2.gz KCSXLBJPHDUEKM-HSZRJFAPSA-N 1 3 456.654 3.906 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2C[NH+](CC)CC)C[C@@H]1C ZINC001313704128 1070988598 /nfs/dbraw/zinc/98/85/98/1070988598.db2.gz GSDXLVHHKNZMHF-YZUZCNPQSA-N 1 3 454.663 3.591 20 0 JHADHO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001313714395 1071012088 /nfs/dbraw/zinc/01/20/88/1071012088.db2.gz YEGRMJUGTPWRNZ-ODGPQVTHSA-N 1 3 472.653 3.782 20 0 JHADHO CC[NH+](CC)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(C)C)CC1 ZINC001313716318 1071016009 /nfs/dbraw/zinc/01/60/09/1071016009.db2.gz QUKDBJYLMRMSKU-UHFFFAOYSA-N 1 3 451.663 3.947 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001313721631 1071024472 /nfs/dbraw/zinc/02/44/72/1071024472.db2.gz GPLOEXWKDXRFHD-HXUWFJFHSA-N 1 3 470.662 3.757 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313859289 1071363594 /nfs/dbraw/zinc/36/35/94/1071363594.db2.gz FNKZYMIJWSNHHL-ZIFCJYIRSA-N 1 3 480.499 3.931 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001313863210 1071380282 /nfs/dbraw/zinc/38/02/82/1071380282.db2.gz RZGFIWLPWWGWCK-FYQPLNBISA-N 1 3 458.626 3.959 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001313863210 1071380292 /nfs/dbraw/zinc/38/02/92/1071380292.db2.gz RZGFIWLPWWGWCK-FYQPLNBISA-N 1 3 458.626 3.959 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@H]1C ZINC001313872805 1071421946 /nfs/dbraw/zinc/42/19/46/1071421946.db2.gz XIZKWPBUFKVKRR-FGZHOGPDSA-N 1 3 460.711 3.819 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313877436 1071441512 /nfs/dbraw/zinc/44/15/12/1071441512.db2.gz TZXMLXWULVFOKY-QHAWAJNXSA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313877436 1071441516 /nfs/dbraw/zinc/44/15/16/1071441516.db2.gz TZXMLXWULVFOKY-QHAWAJNXSA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313878935 1071446702 /nfs/dbraw/zinc/44/67/02/1071446702.db2.gz WJRKWEWSSMWYHV-FSSWDIPSSA-N 1 3 470.662 3.659 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313878935 1071446709 /nfs/dbraw/zinc/44/67/09/1071446709.db2.gz WJRKWEWSSMWYHV-FSSWDIPSSA-N 1 3 470.662 3.659 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313878930 1071446994 /nfs/dbraw/zinc/44/69/94/1071446994.db2.gz WITVUJXYGZWPCK-RPWUZVMVSA-N 1 3 498.716 3.628 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313879202 1071448513 /nfs/dbraw/zinc/44/85/13/1071448513.db2.gz ZCKCVVFXYMNEKD-ZLNRFVROSA-N 1 3 484.689 3.905 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001313881757 1071456102 /nfs/dbraw/zinc/45/61/02/1071456102.db2.gz CRJICTLTBFNOAJ-JBPLPALLSA-N 1 3 489.709 3.752 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001313881757 1071456105 /nfs/dbraw/zinc/45/61/05/1071456105.db2.gz CRJICTLTBFNOAJ-JBPLPALLSA-N 1 3 489.709 3.752 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313886306 1071469988 /nfs/dbraw/zinc/46/99/88/1071469988.db2.gz RKIRXANBWLSVJD-GXRSIYKFSA-N 1 3 492.778 3.943 20 0 JHADHO CCN1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313955637 1071656226 /nfs/dbraw/zinc/65/62/26/1071656226.db2.gz UETVSDPHKPBHJE-JOCHJYFZSA-N 1 3 459.727 3.520 20 0 JHADHO CCN1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313955637 1071656227 /nfs/dbraw/zinc/65/62/27/1071656227.db2.gz UETVSDPHKPBHJE-JOCHJYFZSA-N 1 3 459.727 3.520 20 0 JHADHO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)CCN1CCOC ZINC001306618304 1069301074 /nfs/dbraw/zinc/30/10/74/1069301074.db2.gz ONTVQYROOTXKHX-HSZRJFAPSA-N 1 3 456.679 3.623 20 0 JHADHO c1ncn(C[C@H]2C[C@H]3CN(c4nc(N5CCCC5)cc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164745199 720850161 /nfs/dbraw/zinc/85/01/61/720850161.db2.gz MPJPVXWGDVUPTB-JBRSBNLGSA-N 1 3 457.626 3.806 20 0 JHADHO c1ncn(C[C@H]2C[C@H]3CN(c4nc(N5CCCC5)cc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745199 720850163 /nfs/dbraw/zinc/85/01/63/720850163.db2.gz MPJPVXWGDVUPTB-JBRSBNLGSA-N 1 3 457.626 3.806 20 0 JHADHO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164747358 720908898 /nfs/dbraw/zinc/90/88/98/720908898.db2.gz CTBYEPYGHKFFMX-IXCJQBJRSA-N 1 3 461.654 3.828 20 0 JHADHO c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164747358 720908911 /nfs/dbraw/zinc/90/89/11/720908911.db2.gz CTBYEPYGHKFFMX-IXCJQBJRSA-N 1 3 461.654 3.828 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357383 1069341193 /nfs/dbraw/zinc/34/11/93/1069341193.db2.gz HHBJBCYMGXGGTH-ZEQKJWHPSA-N 1 3 455.691 3.620 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357383 1069341208 /nfs/dbraw/zinc/34/12/08/1069341208.db2.gz HHBJBCYMGXGGTH-ZEQKJWHPSA-N 1 3 455.691 3.620 20 0 JHADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370262 /nfs/dbraw/zinc/37/02/62/1069370262.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 1 3 455.691 3.661 20 0 JHADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370265 /nfs/dbraw/zinc/37/02/65/1069370265.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 1 3 455.691 3.661 20 0 JHADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306786682 1069589945 /nfs/dbraw/zinc/58/99/45/1069589945.db2.gz YOFDMVWZAHFZBL-GBXCKJPGSA-N 1 3 465.621 3.950 20 0 JHADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306786682 1069589951 /nfs/dbraw/zinc/58/99/51/1069589951.db2.gz YOFDMVWZAHFZBL-GBXCKJPGSA-N 1 3 465.621 3.950 20 0 JHADHO CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC001314169069 1069675615 /nfs/dbraw/zinc/67/56/15/1069675615.db2.gz TWJPGTSAJBQZOW-PCCBWWKXSA-N 1 3 470.662 3.613 20 0 JHADHO CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC001314169069 1069675616 /nfs/dbraw/zinc/67/56/16/1069675616.db2.gz TWJPGTSAJBQZOW-PCCBWWKXSA-N 1 3 470.662 3.613 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)C1 ZINC001307044489 1069778396 /nfs/dbraw/zinc/77/83/96/1069778396.db2.gz GLHYKQIDTOHHMF-HBMCJLEFSA-N 1 3 458.626 3.647 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)C1 ZINC001307044489 1069778402 /nfs/dbraw/zinc/77/84/02/1069778402.db2.gz GLHYKQIDTOHHMF-HBMCJLEFSA-N 1 3 458.626 3.647 20 0 JHADHO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001307057631 1069833940 /nfs/dbraw/zinc/83/39/40/1069833940.db2.gz WLUDQDXIYXEUEC-ISKFKSNPSA-N 1 3 454.663 3.786 20 0 JHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001312500281 1069975754 /nfs/dbraw/zinc/97/57/54/1069975754.db2.gz OTBVIVXBZYJCAB-AOYPEHQESA-N 1 3 458.691 3.862 20 0 JHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC001312500281 1069975761 /nfs/dbraw/zinc/97/57/61/1069975761.db2.gz OTBVIVXBZYJCAB-AOYPEHQESA-N 1 3 458.691 3.862 20 0 JHADHO CCOCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314323434 1070108523 /nfs/dbraw/zinc/10/85/23/1070108523.db2.gz RUPZJVZINVPBLI-SFTDATJTSA-N 1 3 454.663 3.570 20 0 JHADHO CCOCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314323434 1070108534 /nfs/dbraw/zinc/10/85/34/1070108534.db2.gz RUPZJVZINVPBLI-SFTDATJTSA-N 1 3 454.663 3.570 20 0 JHADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750280 1070165880 /nfs/dbraw/zinc/16/58/80/1070165880.db2.gz HTVSDFWFVFHBTJ-NRFANRHFSA-N 1 3 458.647 3.688 20 0 JHADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750280 1070165882 /nfs/dbraw/zinc/16/58/82/1070165882.db2.gz HTVSDFWFVFHBTJ-NRFANRHFSA-N 1 3 458.647 3.688 20 0 JHADHO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)CC1 ZINC001313451445 1070379539 /nfs/dbraw/zinc/37/95/39/1070379539.db2.gz WRWOBZFMGIJHMW-FQEVSTJZSA-N 1 3 460.617 3.800 20 0 JHADHO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)CC1 ZINC001313451445 1070379556 /nfs/dbraw/zinc/37/95/56/1070379556.db2.gz WRWOBZFMGIJHMW-FQEVSTJZSA-N 1 3 460.617 3.800 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC2CC2)CC1 ZINC001313656902 1070852741 /nfs/dbraw/zinc/85/27/41/1070852741.db2.gz MIQKHVPJAZFGKJ-GOSISDBHSA-N 1 3 475.479 3.970 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(CC2CC2)CC1 ZINC001313656903 1070852798 /nfs/dbraw/zinc/85/27/98/1070852798.db2.gz MIQKHVPJAZFGKJ-SFHVURJKSA-N 1 3 475.479 3.970 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001313666129 1070882242 /nfs/dbraw/zinc/88/22/42/1070882242.db2.gz HFLWQIIQJFHPEV-OAQYLSRUSA-N 1 3 489.108 3.801 20 0 JHADHO CC[NH+]1CCN(c2ccc(NC(=O)NC3CCN([C@H](C)c4ccncc4)CC3)c(C)c2)CC1 ZINC001310018998 1071063951 /nfs/dbraw/zinc/06/39/51/1071063951.db2.gz JCCIZPGTFYTWBX-OAQYLSRUSA-N 1 3 450.631 3.879 20 0 JHADHO CCN(CCn1c(-c2cccn2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)CCC(F)(F)F ZINC001313810157 1071240118 /nfs/dbraw/zinc/24/01/18/1071240118.db2.gz LNRBBCAVRKNXBV-LJQANCHMSA-N 1 3 467.584 3.623 20 0 JHADHO CC[N@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)C1CC1 ZINC001313820220 1071277174 /nfs/dbraw/zinc/27/71/74/1071277174.db2.gz MMRQXUKCBFCDAR-UHFFFAOYSA-N 1 3 461.054 3.915 20 0 JHADHO CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1)C1CC1 ZINC001313820220 1071277181 /nfs/dbraw/zinc/27/71/81/1071277181.db2.gz MMRQXUKCBFCDAR-UHFFFAOYSA-N 1 3 461.054 3.915 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313859282 1071362906 /nfs/dbraw/zinc/36/29/06/1071362906.db2.gz FJVUWKLXVHMUBQ-AABGKKOBSA-N 1 3 458.626 3.960 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313859285 1071363734 /nfs/dbraw/zinc/36/37/34/1071363734.db2.gz FJVUWKLXVHMUBQ-UFYCRDLUSA-N 1 3 458.626 3.960 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313860250 1071368825 /nfs/dbraw/zinc/36/88/25/1071368825.db2.gz NBFLVXHJUXSLQB-YADHBBJMSA-N 1 3 481.689 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313860250 1071368839 /nfs/dbraw/zinc/36/88/39/1071368839.db2.gz NBFLVXHJUXSLQB-YADHBBJMSA-N 1 3 481.689 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313868283 1071403237 /nfs/dbraw/zinc/40/32/37/1071403237.db2.gz NJBSCPSEGAZTHK-ACRUOGEOSA-N 1 3 470.662 3.613 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313871444 1071416875 /nfs/dbraw/zinc/41/68/75/1071416875.db2.gz ZIDXGSRFRRVIAE-FGZHOGPDSA-N 1 3 470.731 3.810 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313874336 1071427892 /nfs/dbraw/zinc/42/78/92/1071427892.db2.gz NNQDTGTYTKOACI-XZOQPEGZSA-N 1 3 453.679 3.839 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313878928 1071446887 /nfs/dbraw/zinc/44/68/87/1071446887.db2.gz WITVUJXYGZWPCK-BJKOFHAPSA-N 1 3 498.716 3.628 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313878932 1071446980 /nfs/dbraw/zinc/44/69/80/1071446980.db2.gz WJRKWEWSSMWYHV-BHIFYINESA-N 1 3 470.662 3.659 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313878932 1071446984 /nfs/dbraw/zinc/44/69/84/1071446984.db2.gz WJRKWEWSSMWYHV-BHIFYINESA-N 1 3 470.662 3.659 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313879201 1071448587 /nfs/dbraw/zinc/44/85/87/1071448587.db2.gz ZCKCVVFXYMNEKD-VJBWXMMDSA-N 1 3 484.689 3.905 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313886351 1071470853 /nfs/dbraw/zinc/47/08/53/1071470853.db2.gz SDDBZHKJBWINMZ-VXKWHMMOSA-N 1 3 470.662 3.517 20 0 JHADHO CCN1CCN(C[C@@H](C)Cn2c(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951302 1071641636 /nfs/dbraw/zinc/64/16/36/1071641636.db2.gz FJCJXNKNSKDOMR-RSXGOPAZSA-N 1 3 495.760 3.808 20 0 JHADHO CCN1CCN(C[C@@H](C)Cn2c(N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951302 1071641639 /nfs/dbraw/zinc/64/16/39/1071641639.db2.gz FJCJXNKNSKDOMR-RSXGOPAZSA-N 1 3 495.760 3.808 20 0 JHADHO [NH3+]C1([C@@H]2CN(c3c4c(cnc3Cl)C3(CCN(Cc5ccccc5)CC3)OC4=O)C[C@@H]2CF)CC1 ZINC001164622506 719121349 /nfs/dbraw/zinc/12/13/49/719121349.db2.gz PELSCDHPWCSLBQ-AZUAARDMSA-N 1 3 485.003 3.910 20 0 JHADHO CCOC(=O)c1cnc2cc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)[nH]cc1-2 ZINC001165022690 721843076 /nfs/dbraw/zinc/84/30/76/721843076.db2.gz SEKNBEALRJKIRY-UHFFFAOYSA-N 1 3 452.555 3.858 20 0 JHADHO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973127 722158338 /nfs/dbraw/zinc/15/83/38/722158338.db2.gz LHIPJFNMJZWIRM-OFNKIYASSA-N 1 3 489.998 3.779 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC001311358859 1069342572 /nfs/dbraw/zinc/34/25/72/1069342572.db2.gz UNZCPMKMCCWJBT-UHFFFAOYSA-N 1 3 455.691 3.622 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC001311358859 1069342589 /nfs/dbraw/zinc/34/25/89/1069342589.db2.gz UNZCPMKMCCWJBT-UHFFFAOYSA-N 1 3 455.691 3.622 20 0 JHADHO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306683503 1069417358 /nfs/dbraw/zinc/41/73/58/1069417358.db2.gz VWDCQFIJVFIUGP-QFIPXVFZSA-N 1 3 488.124 3.935 20 0 JHADHO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306683503 1069417363 /nfs/dbraw/zinc/41/73/63/1069417363.db2.gz VWDCQFIJVFIUGP-QFIPXVFZSA-N 1 3 488.124 3.935 20 0 JHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1Cl ZINC001311567931 1069441343 /nfs/dbraw/zinc/44/13/43/1069441343.db2.gz NBGJGDCQXYVQIU-OFNKIYASSA-N 1 3 450.071 3.533 20 0 JHADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1Cl ZINC001311567931 1069441347 /nfs/dbraw/zinc/44/13/47/1069441347.db2.gz NBGJGDCQXYVQIU-OFNKIYASSA-N 1 3 450.071 3.533 20 0 JHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1Cl ZINC001311567929 1069441402 /nfs/dbraw/zinc/44/14/02/1069441402.db2.gz NBGJGDCQXYVQIU-NFBKMPQASA-N 1 3 450.071 3.533 20 0 JHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1Cl ZINC001311567929 1069441404 /nfs/dbraw/zinc/44/14/04/1069441404.db2.gz NBGJGDCQXYVQIU-NFBKMPQASA-N 1 3 450.071 3.533 20 0 JHADHO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H](c3ccccc3)N3CCC(C)CC3)CC2)CC1 ZINC001311654066 1069490251 /nfs/dbraw/zinc/49/02/51/1069490251.db2.gz MCHVAJSMMRWSTE-AREMUKBSSA-N 1 3 455.691 3.660 20 0 JHADHO CN(Cc1ccccc1OCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001311776920 1069542530 /nfs/dbraw/zinc/54/25/30/1069542530.db2.gz HSOVBCYQVXUACL-UHFFFAOYSA-N 1 3 450.627 3.966 20 0 JHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC001312993460 1070215479 /nfs/dbraw/zinc/21/54/79/1070215479.db2.gz BAELGVBFHKNYNP-ICSRJNTNSA-N 1 3 453.469 3.828 20 0 JHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC001312993460 1070215492 /nfs/dbraw/zinc/21/54/92/1070215492.db2.gz BAELGVBFHKNYNP-ICSRJNTNSA-N 1 3 453.469 3.828 20 0 JHADHO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCCN2CCN(C(C)C)CC2)cc1 ZINC001307918354 1070239945 /nfs/dbraw/zinc/23/99/45/1070239945.db2.gz DFQGEJNBOMTIOK-DQEYMECFSA-N 1 3 474.690 3.794 20 0 JHADHO CC(C)N1CCN(CCC[NH+]2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)CC1 ZINC001308121680 1070321229 /nfs/dbraw/zinc/32/12/29/1070321229.db2.gz QMOQGOJUHZLDEF-UHFFFAOYSA-N 1 3 458.691 3.961 20 0 JHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC001308440821 1070376420 /nfs/dbraw/zinc/37/64/20/1070376420.db2.gz XBPSMSFCYCMYLC-ATIYNZHBSA-N 1 3 457.062 3.719 20 0 JHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC001308440821 1070376439 /nfs/dbraw/zinc/37/64/39/1070376439.db2.gz XBPSMSFCYCMYLC-ATIYNZHBSA-N 1 3 457.062 3.719 20 0 JHADHO COC(=O)c1ccccc1-c1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC001308613336 1070401640 /nfs/dbraw/zinc/40/16/40/1070401640.db2.gz GJLBGADNTNZHJW-UHFFFAOYSA-N 1 3 455.599 3.649 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001313656568 1070851499 /nfs/dbraw/zinc/85/14/99/1070851499.db2.gz JWPKETBRACKYCA-RTWAWAEBSA-N 1 3 488.652 3.589 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313669837 1070895614 /nfs/dbraw/zinc/89/56/14/1070895614.db2.gz DQUMOUCDAFRJJQ-NJDAHSKKSA-N 1 3 451.663 3.999 20 0 JHADHO CC[NH+](CC)[C@@H](Cn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676776 1070922689 /nfs/dbraw/zinc/92/26/89/1070922689.db2.gz ZJRQPECLVCLYBJ-DEOSSOPVSA-N 1 3 468.690 3.960 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001313697426 1070966362 /nfs/dbraw/zinc/96/63/62/1070966362.db2.gz OJDAQLKRLUPMIV-BJKOFHAPSA-N 1 3 470.662 3.752 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001313697427 1070967054 /nfs/dbraw/zinc/96/70/54/1070967054.db2.gz OJDAQLKRLUPMIV-DNQXCXABSA-N 1 3 470.662 3.752 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)C[C@H]1C ZINC001313858239 1071358142 /nfs/dbraw/zinc/35/81/42/1071358142.db2.gz ABCGMIDNUJDIMM-WOJBJXKFSA-N 1 3 454.619 3.579 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)C[C@H]1C ZINC001313858239 1071358157 /nfs/dbraw/zinc/35/81/57/1071358157.db2.gz ABCGMIDNUJDIMM-WOJBJXKFSA-N 1 3 454.619 3.579 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313858019 1071357197 /nfs/dbraw/zinc/35/71/97/1071357197.db2.gz FBPHXQCVBFBTSJ-OIBXWCBGSA-N 1 3 481.689 3.798 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313858019 1071357210 /nfs/dbraw/zinc/35/72/10/1071357210.db2.gz FBPHXQCVBFBTSJ-OIBXWCBGSA-N 1 3 481.689 3.798 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313859283 1071363040 /nfs/dbraw/zinc/36/30/40/1071363040.db2.gz FJVUWKLXVHMUBQ-HSALFYBXSA-N 1 3 458.626 3.960 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001313868813 1071403396 /nfs/dbraw/zinc/40/33/96/1071403396.db2.gz BEJKYRLKEWWNOR-RTWAWAEBSA-N 1 3 486.680 3.816 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313869252 1071408317 /nfs/dbraw/zinc/40/83/17/1071408317.db2.gz OZMIZEATOHFJLS-URYYLNOGSA-N 1 3 460.711 3.849 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313871797 1071418227 /nfs/dbraw/zinc/41/82/27/1071418227.db2.gz HNXWSSFPTGETSG-FUPPJEDESA-N 1 3 456.679 3.773 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001313871920 1071419063 /nfs/dbraw/zinc/41/90/63/1071419063.db2.gz VPAYEOCBYUVXJM-VQTJNVASSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001313871918 1071419173 /nfs/dbraw/zinc/41/91/73/1071419173.db2.gz VPAYEOCBYUVXJM-PMACEKPBSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313874505 1071428908 /nfs/dbraw/zinc/42/89/08/1071428908.db2.gz IHLCEZHFNMUAIF-PMOQBDJRSA-N 1 3 470.710 3.569 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313874505 1071428912 /nfs/dbraw/zinc/42/89/12/1071428912.db2.gz IHLCEZHFNMUAIF-PMOQBDJRSA-N 1 3 470.710 3.569 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874838 1071428952 /nfs/dbraw/zinc/42/89/52/1071428952.db2.gz OFRNEIQPUDGUOO-VABKMULXSA-N 1 3 461.658 3.703 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874838 1071428956 /nfs/dbraw/zinc/42/89/56/1071428956.db2.gz OFRNEIQPUDGUOO-VABKMULXSA-N 1 3 461.658 3.703 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313874854 1071431520 /nfs/dbraw/zinc/43/15/20/1071431520.db2.gz QRMQLSTWYDEFHU-OALUTQOASA-N 1 3 461.054 3.628 20 0 JHADHO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313908847 1071530841 /nfs/dbraw/zinc/53/08/41/1071530841.db2.gz PGVMPFSFPQFWAE-FQEVSTJZSA-N 1 3 470.662 3.757 20 0 JHADHO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313908847 1071530848 /nfs/dbraw/zinc/53/08/48/1071530848.db2.gz PGVMPFSFPQFWAE-FQEVSTJZSA-N 1 3 470.662 3.757 20 0 JHADHO CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001306208101 1068599166 /nfs/dbraw/zinc/59/91/66/1068599166.db2.gz VEHGTXFNKMXZCY-XMMPIXPASA-N 1 3 452.691 3.963 20 0 JHADHO CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306208101 1068599176 /nfs/dbraw/zinc/59/91/76/1068599176.db2.gz VEHGTXFNKMXZCY-XMMPIXPASA-N 1 3 452.691 3.963 20 0 JHADHO Clc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)CNCC2 ZINC001164755003 720905726 /nfs/dbraw/zinc/90/57/26/720905726.db2.gz XSXLKROCEWDVAR-RLWLMLJZSA-N 1 3 468.045 3.531 20 0 JHADHO Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)CNCC2 ZINC001164755003 720905734 /nfs/dbraw/zinc/90/57/34/720905734.db2.gz XSXLKROCEWDVAR-RLWLMLJZSA-N 1 3 468.045 3.531 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc2)CC1 ZINC001311357196 1069340840 /nfs/dbraw/zinc/34/08/40/1069340840.db2.gz CSPABSTYNJSOTF-UHFFFAOYSA-N 1 3 455.691 3.622 20 0 JHADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001311379587 1069353346 /nfs/dbraw/zinc/35/33/46/1069353346.db2.gz DGGRXBRHOZORLW-RPWUZVMVSA-N 1 3 455.691 3.849 20 0 JHADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001311379587 1069353356 /nfs/dbraw/zinc/35/33/56/1069353356.db2.gz DGGRXBRHOZORLW-RPWUZVMVSA-N 1 3 455.691 3.849 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)CCN1CCOC ZINC001306652771 1069363767 /nfs/dbraw/zinc/36/37/67/1069363767.db2.gz YDYXMXZCUIOMCQ-BJKOFHAPSA-N 1 3 454.663 3.757 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)CCN1CCOC ZINC001306652771 1069363780 /nfs/dbraw/zinc/36/37/80/1069363780.db2.gz YDYXMXZCUIOMCQ-BJKOFHAPSA-N 1 3 454.663 3.757 20 0 JHADHO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306681033 1069408644 /nfs/dbraw/zinc/40/86/44/1069408644.db2.gz HBAYJBHRQLQWBC-DEOSSOPVSA-N 1 3 488.124 3.935 20 0 JHADHO CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306681033 1069408656 /nfs/dbraw/zinc/40/86/56/1069408656.db2.gz HBAYJBHRQLQWBC-DEOSSOPVSA-N 1 3 488.124 3.935 20 0 JHADHO CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001306681227 1069409964 /nfs/dbraw/zinc/40/99/64/1069409964.db2.gz UIIBZNRQGZPLRZ-JOCHJYFZSA-N 1 3 461.743 3.550 20 0 JHADHO CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001306681227 1069409970 /nfs/dbraw/zinc/40/99/70/1069409970.db2.gz UIIBZNRQGZPLRZ-JOCHJYFZSA-N 1 3 461.743 3.550 20 0 JHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819208 1069559216 /nfs/dbraw/zinc/55/92/16/1069559216.db2.gz GXIWYTBDYVMXSW-VXWZWFMZSA-N 1 3 457.569 3.522 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001307040645 1069767009 /nfs/dbraw/zinc/76/70/09/1069767009.db2.gz PENJYPOCXASCGW-NRFANRHFSA-N 1 3 473.735 3.924 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001307040645 1069767020 /nfs/dbraw/zinc/76/70/20/1069767020.db2.gz PENJYPOCXASCGW-NRFANRHFSA-N 1 3 473.735 3.924 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001307041836 1069769961 /nfs/dbraw/zinc/76/99/61/1069769961.db2.gz VBPJOLTWSMKQJM-NRFANRHFSA-N 1 3 454.663 3.530 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001307041836 1069769969 /nfs/dbraw/zinc/76/99/69/1069769969.db2.gz VBPJOLTWSMKQJM-NRFANRHFSA-N 1 3 454.663 3.530 20 0 JHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001312500283 1069975562 /nfs/dbraw/zinc/97/55/62/1069975562.db2.gz OTBVIVXBZYJCAB-RSXGOPAZSA-N 1 3 458.691 3.862 20 0 JHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC001312500283 1069975570 /nfs/dbraw/zinc/97/55/70/1069975570.db2.gz OTBVIVXBZYJCAB-RSXGOPAZSA-N 1 3 458.691 3.862 20 0 JHADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001312994140 1070216331 /nfs/dbraw/zinc/21/63/31/1070216331.db2.gz HYJUYPJHCJCOFO-KRWDZBQOSA-N 1 3 459.462 3.956 20 0 JHADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001312994140 1070216345 /nfs/dbraw/zinc/21/63/45/1070216345.db2.gz HYJUYPJHCJCOFO-KRWDZBQOSA-N 1 3 459.462 3.956 20 0 JHADHO CN(C)C[C@@H](NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001313263599 1070309770 /nfs/dbraw/zinc/30/97/70/1070309770.db2.gz SMQJLXYNSWKLJL-HSZRJFAPSA-N 1 3 459.034 3.923 20 0 JHADHO CN(C)C[C@@H](NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001313263599 1070309787 /nfs/dbraw/zinc/30/97/87/1070309787.db2.gz SMQJLXYNSWKLJL-HSZRJFAPSA-N 1 3 459.034 3.923 20 0 JHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC001308226463 1070343367 /nfs/dbraw/zinc/34/33/67/1070343367.db2.gz SUHZTIYLPMFUGZ-NRFANRHFSA-N 1 3 451.533 3.767 20 0 JHADHO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001313447117 1070365005 /nfs/dbraw/zinc/36/50/05/1070365005.db2.gz IVMWYVXXIZHHAN-URVUXULASA-N 1 3 470.662 3.756 20 0 JHADHO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001313447117 1070365023 /nfs/dbraw/zinc/36/50/23/1070365023.db2.gz IVMWYVXXIZHHAN-URVUXULASA-N 1 3 470.662 3.756 20 0 JHADHO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC001309415726 1070755856 /nfs/dbraw/zinc/75/58/56/1070755856.db2.gz BXGTVRVBDKEPGO-LOSJGSFVSA-N 1 3 455.668 3.709 20 0 JHADHO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC001309415726 1070755863 /nfs/dbraw/zinc/75/58/63/1070755863.db2.gz BXGTVRVBDKEPGO-LOSJGSFVSA-N 1 3 455.668 3.709 20 0 JHADHO C[NH+](C)C1(Cn2c(Cc3cccnc3)nnc2N2CCN(CCC(C)(C)C)CC2)CCCC1 ZINC001314659094 1070780378 /nfs/dbraw/zinc/78/03/78/1070780378.db2.gz KWEHEWUBKISTAS-UHFFFAOYSA-N 1 3 453.679 3.697 20 0 JHADHO C[NH+](C)CCOc1cccc(Cn2c(N3CCN(C4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001314668305 1070803918 /nfs/dbraw/zinc/80/39/18/1070803918.db2.gz FAUYOFPYSJYTRJ-UHFFFAOYSA-N 1 3 454.663 3.629 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001313668685 1070893170 /nfs/dbraw/zinc/89/31/70/1070893170.db2.gz RTHHQPDIIKNNQR-DNQXCXABSA-N 1 3 498.716 3.894 20 0 JHADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001313701767 1070981311 /nfs/dbraw/zinc/98/13/11/1070981311.db2.gz YFURKRZJTACXIX-VWLOTQADSA-N 1 3 495.716 3.537 20 0 JHADHO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810753 1071242814 /nfs/dbraw/zinc/24/28/14/1071242814.db2.gz WQTYPIXGKNMOHG-FUHWJXTLSA-N 1 3 485.986 3.941 20 0 JHADHO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810753 1071242822 /nfs/dbraw/zinc/24/28/22/1071242822.db2.gz WQTYPIXGKNMOHG-FUHWJXTLSA-N 1 3 485.986 3.941 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313859109 1071361441 /nfs/dbraw/zinc/36/14/41/1071361441.db2.gz DGFADYSXLHOZBB-ZWKOTPCHSA-N 1 3 461.452 3.722 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001313868809 1071403216 /nfs/dbraw/zinc/40/32/16/1071403216.db2.gz BEJKYRLKEWWNOR-LEWJYISDSA-N 1 3 486.680 3.816 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313874333 1071427997 /nfs/dbraw/zinc/42/79/97/1071427997.db2.gz NNQDTGTYTKOACI-DHIUTWEWSA-N 1 3 453.679 3.839 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313874851 1071431421 /nfs/dbraw/zinc/43/14/21/1071431421.db2.gz QRMQLSTWYDEFHU-MOPGFXCFSA-N 1 3 461.054 3.628 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313877432 1071441534 /nfs/dbraw/zinc/44/15/34/1071441534.db2.gz TZXMLXWULVFOKY-HKBOAZHASA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313877432 1071441540 /nfs/dbraw/zinc/44/15/40/1071441540.db2.gz TZXMLXWULVFOKY-HKBOAZHASA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313878934 1071446915 /nfs/dbraw/zinc/44/69/15/1071446915.db2.gz WJRKWEWSSMWYHV-FKBYEOEOSA-N 1 3 470.662 3.659 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313878934 1071446919 /nfs/dbraw/zinc/44/69/19/1071446919.db2.gz WJRKWEWSSMWYHV-FKBYEOEOSA-N 1 3 470.662 3.659 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313879200 1071448456 /nfs/dbraw/zinc/44/84/56/1071448456.db2.gz ZCKCVVFXYMNEKD-VABKMULXSA-N 1 3 484.689 3.905 20 0 JHADHO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313908849 1071531206 /nfs/dbraw/zinc/53/12/06/1071531206.db2.gz PGVMPFSFPQFWAE-HXUWFJFHSA-N 1 3 470.662 3.757 20 0 JHADHO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313908849 1071531210 /nfs/dbraw/zinc/53/12/10/1071531210.db2.gz PGVMPFSFPQFWAE-HXUWFJFHSA-N 1 3 470.662 3.757 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919438 1071556715 /nfs/dbraw/zinc/55/67/15/1071556715.db2.gz BMIHBPFGFYRTGF-ZEQRLZLVSA-N 1 3 473.754 3.908 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919438 1071556723 /nfs/dbraw/zinc/55/67/23/1071556723.db2.gz BMIHBPFGFYRTGF-ZEQRLZLVSA-N 1 3 473.754 3.908 20 0 JHADHO CCN1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313959787 1071667318 /nfs/dbraw/zinc/66/73/18/1071667318.db2.gz AATJAXAVXUYKLD-UHFFFAOYSA-N 1 3 497.732 3.504 20 0 JHADHO CCN1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313959787 1071667324 /nfs/dbraw/zinc/66/73/24/1071667324.db2.gz AATJAXAVXUYKLD-UHFFFAOYSA-N 1 3 497.732 3.504 20 0 JHADHO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973121 722157942 /nfs/dbraw/zinc/15/79/42/722157942.db2.gz LHIPJFNMJZWIRM-NFBKMPQASA-N 1 3 489.998 3.779 20 0 JHADHO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306632555 1069334672 /nfs/dbraw/zinc/33/46/72/1069334672.db2.gz ZWESHCSPNZYKNI-FGZHOGPDSA-N 1 3 462.727 3.924 20 0 JHADHO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306632555 1069334687 /nfs/dbraw/zinc/33/46/87/1069334687.db2.gz ZWESHCSPNZYKNI-FGZHOGPDSA-N 1 3 462.727 3.924 20 0 JHADHO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306632557 1069334466 /nfs/dbraw/zinc/33/44/66/1069334466.db2.gz ZWESHCSPNZYKNI-YADHBBJMSA-N 1 3 462.727 3.924 20 0 JHADHO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306632557 1069334480 /nfs/dbraw/zinc/33/44/80/1069334480.db2.gz ZWESHCSPNZYKNI-YADHBBJMSA-N 1 3 462.727 3.924 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001306647878 1069360472 /nfs/dbraw/zinc/36/04/72/1069360472.db2.gz QDRNMUURCSQNMQ-JOCHJYFZSA-N 1 3 472.653 3.753 20 0 JHADHO CC1CCN([C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cccs2)CC1 ZINC001311569764 1069442121 /nfs/dbraw/zinc/44/21/21/1069442121.db2.gz GTSZLGOMXRNCDF-GOTSBHOMSA-N 1 3 456.656 3.587 20 0 JHADHO CC1CCN([C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccs2)CC1 ZINC001311569764 1069442127 /nfs/dbraw/zinc/44/21/27/1069442127.db2.gz GTSZLGOMXRNCDF-GOTSBHOMSA-N 1 3 456.656 3.587 20 0 JHADHO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001307038249 1069760904 /nfs/dbraw/zinc/76/09/04/1069760904.db2.gz ZNYXVLRTJGPTRR-UHFFFAOYSA-N 1 3 496.704 3.606 20 0 JHADHO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001307039893 1069765128 /nfs/dbraw/zinc/76/51/28/1069765128.db2.gz GFNPIPXDJHVMEE-JOCHJYFZSA-N 1 3 453.679 3.554 20 0 JHADHO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001307039893 1069765143 /nfs/dbraw/zinc/76/51/43/1069765143.db2.gz GFNPIPXDJHVMEE-JOCHJYFZSA-N 1 3 453.679 3.554 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001307058915 1069841730 /nfs/dbraw/zinc/84/17/30/1069841730.db2.gz OPXYJSPTPLMGRZ-NNMXDRDESA-N 1 3 459.708 3.817 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001307058915 1069841751 /nfs/dbraw/zinc/84/17/51/1069841751.db2.gz OPXYJSPTPLMGRZ-NNMXDRDESA-N 1 3 459.708 3.817 20 0 JHADHO CN(CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC001307507340 1070024798 /nfs/dbraw/zinc/02/47/98/1070024798.db2.gz KOUUSJUZPGNQDY-UHFFFAOYSA-N 1 3 457.018 3.629 20 0 JHADHO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001307886316 1070226273 /nfs/dbraw/zinc/22/62/73/1070226273.db2.gz QSTMDKFTJZRZNG-ISKFKSNPSA-N 1 3 455.643 3.555 20 0 JHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001313340167 1070332032 /nfs/dbraw/zinc/33/20/32/1070332032.db2.gz BJIIOSKEGIACEH-IZZNHLLZSA-N 1 3 456.675 3.614 20 0 JHADHO CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001313340167 1070332047 /nfs/dbraw/zinc/33/20/47/1070332047.db2.gz BJIIOSKEGIACEH-IZZNHLLZSA-N 1 3 456.675 3.614 20 0 JHADHO CCN(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1ccco1 ZINC001313672437 1070904059 /nfs/dbraw/zinc/90/40/59/1070904059.db2.gz OCKDRVQZRKRJHZ-JOCHJYFZSA-N 1 3 480.661 3.969 20 0 JHADHO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001313711171 1071005692 /nfs/dbraw/zinc/00/56/92/1071005692.db2.gz MZGXDUPAERIXKO-XMMPIXPASA-N 1 3 488.124 3.935 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313859107 1071361497 /nfs/dbraw/zinc/36/14/97/1071361497.db2.gz DGFADYSXLHOZBB-QZTJIDSGSA-N 1 3 461.452 3.722 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313859108 1071361701 /nfs/dbraw/zinc/36/17/01/1071361701.db2.gz DGFADYSXLHOZBB-ROUUACIJSA-N 1 3 461.452 3.722 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@H]1C ZINC001313859155 1071362855 /nfs/dbraw/zinc/36/28/55/1071362855.db2.gz DYDLSGZBKVTIQQ-QTEQDKRBSA-N 1 3 475.081 3.754 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@H]1C ZINC001313859155 1071362865 /nfs/dbraw/zinc/36/28/65/1071362865.db2.gz DYDLSGZBKVTIQQ-QTEQDKRBSA-N 1 3 475.081 3.754 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313868649 1071405639 /nfs/dbraw/zinc/40/56/39/1071405639.db2.gz VPXQMRSJRIMKNL-PRTQVNTJSA-N 1 3 453.679 3.935 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313868284 1071403490 /nfs/dbraw/zinc/40/34/90/1071403490.db2.gz NJBSCPSEGAZTHK-HBMCJLEFSA-N 1 3 470.662 3.613 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313871798 1071418296 /nfs/dbraw/zinc/41/82/96/1071418296.db2.gz HNXWSSFPTGETSG-GIWBLDEGSA-N 1 3 456.679 3.773 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001313871919 1071419156 /nfs/dbraw/zinc/41/91/56/1071419156.db2.gz VPAYEOCBYUVXJM-UXHICEINSA-N 1 3 470.662 3.756 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313873225 1071424764 /nfs/dbraw/zinc/42/47/64/1071424764.db2.gz KIAQLTWJTKFHJP-BJESRGMDSA-N 1 3 467.706 3.939 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313873225 1071424766 /nfs/dbraw/zinc/42/47/66/1071424766.db2.gz KIAQLTWJTKFHJP-BJESRGMDSA-N 1 3 467.706 3.939 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313873706 1071425452 /nfs/dbraw/zinc/42/54/52/1071425452.db2.gz LPHVIGYVIUDNNS-SLSDLSHTSA-N 1 3 461.658 3.794 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313874334 1071427856 /nfs/dbraw/zinc/42/78/56/1071427856.db2.gz NNQDTGTYTKOACI-GOTSBHOMSA-N 1 3 453.679 3.839 20 0 JHADHO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(CC)[C@H](C)C2)CC1 ZINC001313949109 1071635875 /nfs/dbraw/zinc/63/58/75/1071635875.db2.gz HUPKBZITJPSSLP-WOJBJXKFSA-N 1 3 492.087 3.542 20 0 JHADHO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001306631600 1069332090 /nfs/dbraw/zinc/33/20/90/1069332090.db2.gz SOUVNGCIUUFJIZ-JOCHJYFZSA-N 1 3 462.727 3.926 20 0 JHADHO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CCN1CCOC ZINC001306631600 1069332106 /nfs/dbraw/zinc/33/21/06/1069332106.db2.gz SOUVNGCIUUFJIZ-JOCHJYFZSA-N 1 3 462.727 3.926 20 0 JHADHO CCN1CCN(Cc2ccccc2CNC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001311359892 1069343976 /nfs/dbraw/zinc/34/39/76/1069343976.db2.gz NMVMOPUAHVVPGQ-AREMUKBSSA-N 1 3 455.691 3.620 20 0 JHADHO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306802188 1069608061 /nfs/dbraw/zinc/60/80/61/1069608061.db2.gz HLRUBENIYAKCBJ-IRXDYDNUSA-N 1 3 466.472 3.687 20 0 JHADHO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306802188 1069608067 /nfs/dbraw/zinc/60/80/67/1069608067.db2.gz HLRUBENIYAKCBJ-IRXDYDNUSA-N 1 3 466.472 3.687 20 0 JHADHO CCC[N@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306808452 1069625142 /nfs/dbraw/zinc/62/51/42/1069625142.db2.gz MDWIKRFYRBTZRM-LNRXMEIDSA-N 1 3 491.725 3.700 20 0 JHADHO CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306808452 1069625145 /nfs/dbraw/zinc/62/51/45/1069625145.db2.gz MDWIKRFYRBTZRM-LNRXMEIDSA-N 1 3 491.725 3.700 20 0 JHADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001312499019 1069974653 /nfs/dbraw/zinc/97/46/53/1069974653.db2.gz FTDHVZLHKQYMKO-AREMUKBSSA-N 1 3 450.627 3.503 20 0 JHADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001312499019 1069974660 /nfs/dbraw/zinc/97/46/60/1069974660.db2.gz FTDHVZLHKQYMKO-AREMUKBSSA-N 1 3 450.627 3.503 20 0 JHADHO CN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312499068 1069974765 /nfs/dbraw/zinc/97/47/65/1069974765.db2.gz GMOPXYVQUADZOI-FTJBHMTQSA-N 1 3 450.627 3.584 20 0 JHADHO CN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001312499068 1069974769 /nfs/dbraw/zinc/97/47/69/1069974769.db2.gz GMOPXYVQUADZOI-FTJBHMTQSA-N 1 3 450.627 3.584 20 0 JHADHO C[C@@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CCN1Cc1ccccc1 ZINC001312669609 1070072220 /nfs/dbraw/zinc/07/22/20/1070072220.db2.gz AVTBHEHESMIAEN-JOCHJYFZSA-N 1 3 450.627 3.966 20 0 JHADHO CN(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653582 1070766642 /nfs/dbraw/zinc/76/66/42/1070766642.db2.gz ZZRYCWPQBGKZPO-GMAHTHKFSA-N 1 3 472.653 3.782 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001313666128 1070882696 /nfs/dbraw/zinc/88/26/96/1070882696.db2.gz HFLWQIIQJFHPEV-NRFANRHFSA-N 1 3 489.108 3.801 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001313693515 1070954645 /nfs/dbraw/zinc/95/46/45/1070954645.db2.gz AKJTWRQIRXXERM-REWPJTCUSA-N 1 3 458.626 3.535 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313858021 1071357483 /nfs/dbraw/zinc/35/74/83/1071357483.db2.gz FBPHXQCVBFBTSJ-PTUXOGIPSA-N 1 3 481.689 3.798 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313858021 1071357499 /nfs/dbraw/zinc/35/74/99/1071357499.db2.gz FBPHXQCVBFBTSJ-PTUXOGIPSA-N 1 3 481.689 3.798 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313859286 1071363855 /nfs/dbraw/zinc/36/38/55/1071363855.db2.gz FNKZYMIJWSNHHL-AOIWGVFYSA-N 1 3 480.499 3.931 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001313864608 1071387522 /nfs/dbraw/zinc/38/75/22/1071387522.db2.gz ZDCTWUHFVHDJAU-ZWKOTPCHSA-N 1 3 463.468 3.967 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001313864608 1071387531 /nfs/dbraw/zinc/38/75/31/1071387531.db2.gz ZDCTWUHFVHDJAU-ZWKOTPCHSA-N 1 3 463.468 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313868073 1071402357 /nfs/dbraw/zinc/40/23/57/1071402357.db2.gz AIBAVMRTTNXGEJ-CZSZKKDXSA-N 1 3 456.704 3.534 20 0 JHADHO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313869752 1071410196 /nfs/dbraw/zinc/41/01/96/1071410196.db2.gz QMHYSPYLSAGYKJ-ZRCGQRJVSA-N 1 3 475.081 3.874 20 0 JHADHO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313869752 1071410199 /nfs/dbraw/zinc/41/01/99/1071410199.db2.gz QMHYSPYLSAGYKJ-ZRCGQRJVSA-N 1 3 475.081 3.874 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313870649 1071414331 /nfs/dbraw/zinc/41/43/31/1071414331.db2.gz VFSUCCOSJKBNMQ-SVFBPWRDSA-N 1 3 459.708 3.673 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313870649 1071414332 /nfs/dbraw/zinc/41/43/32/1071414332.db2.gz VFSUCCOSJKBNMQ-SVFBPWRDSA-N 1 3 459.708 3.673 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313871440 1071416828 /nfs/dbraw/zinc/41/68/28/1071416828.db2.gz ZIDXGSRFRRVIAE-FCHUYYIVSA-N 1 3 470.731 3.810 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313874470 1071428673 /nfs/dbraw/zinc/42/86/73/1071428673.db2.gz IARCCWFNDZDACS-TVZXLZGTSA-N 1 3 486.730 3.830 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313874468 1071428891 /nfs/dbraw/zinc/42/88/91/1071428891.db2.gz IARCCWFNDZDACS-AOJNWGRGSA-N 1 3 486.730 3.830 20 0 JHADHO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493761 1071433600 /nfs/dbraw/zinc/43/36/00/1071433600.db2.gz KZOFYVURUSLSCY-UBFVSLLYSA-N 1 3 458.647 3.529 20 0 JHADHO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493761 1071433606 /nfs/dbraw/zinc/43/36/06/1071433606.db2.gz KZOFYVURUSLSCY-UBFVSLLYSA-N 1 3 458.647 3.529 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877372 1071441698 /nfs/dbraw/zinc/44/16/98/1071441698.db2.gz STQYYKWQZPDFEH-AWRGLXIESA-N 1 3 468.690 3.917 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877372 1071441701 /nfs/dbraw/zinc/44/17/01/1071441701.db2.gz STQYYKWQZPDFEH-AWRGLXIESA-N 1 3 468.690 3.917 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313883119 1071460636 /nfs/dbraw/zinc/46/06/36/1071460636.db2.gz IGCMVDORTXRBKL-NJYVYQBISA-N 1 3 458.626 3.647 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313883119 1071460641 /nfs/dbraw/zinc/46/06/41/1071460641.db2.gz IGCMVDORTXRBKL-NJYVYQBISA-N 1 3 458.626 3.647 20 0 JHADHO CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@H](C)[NH+](CC)CC)C2)CC1 ZINC001313944464 1071624867 /nfs/dbraw/zinc/62/48/67/1071624867.db2.gz CDELGQCEFBASKS-REWPJTCUSA-N 1 3 474.097 3.545 20 0 JHADHO CCN1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313955638 1071656162 /nfs/dbraw/zinc/65/61/62/1071656162.db2.gz UETVSDPHKPBHJE-QFIPXVFZSA-N 1 3 459.727 3.520 20 0 JHADHO CCN1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313955638 1071656166 /nfs/dbraw/zinc/65/61/66/1071656166.db2.gz UETVSDPHKPBHJE-QFIPXVFZSA-N 1 3 459.727 3.520 20 0 JHADHO CCc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305944404 1068256944 /nfs/dbraw/zinc/25/69/44/1068256944.db2.gz KDQFMULFFJHVNL-OAQYLSRUSA-N 1 3 454.663 3.539 20 0 JHADHO CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986505 1068338033 /nfs/dbraw/zinc/33/80/33/1068338033.db2.gz XLUSGKUODPSSQZ-NHCUHLMSSA-N 1 3 454.663 3.823 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CCN1CCOC ZINC001306620520 1069307025 /nfs/dbraw/zinc/30/70/25/1069307025.db2.gz PTLTUNUSGUWVLK-QHCPKHFHSA-N 1 3 473.065 3.798 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CCN1CCOC ZINC001306620520 1069307039 /nfs/dbraw/zinc/30/70/39/1069307039.db2.gz PTLTUNUSGUWVLK-QHCPKHFHSA-N 1 3 473.065 3.798 20 0 JHADHO CC(C)N(C)Cc1nn(-c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164680229 719639964 /nfs/dbraw/zinc/63/99/64/719639964.db2.gz SQLPMDOBOJANHY-UHFFFAOYSA-N 1 3 479.698 3.838 20 0 JHADHO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)CCN1CCOC ZINC001306633428 1069337121 /nfs/dbraw/zinc/33/71/21/1069337121.db2.gz BMWAYSZNOHNAEL-UEQSERJNSA-N 1 3 490.737 3.618 20 0 JHADHO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)CCN1CCOC ZINC001306633428 1069337139 /nfs/dbraw/zinc/33/71/39/1069337139.db2.gz BMWAYSZNOHNAEL-UEQSERJNSA-N 1 3 490.737 3.618 20 0 JHADHO CCN1CCN(Cc2ccccc2CNC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001311359893 1069344033 /nfs/dbraw/zinc/34/40/33/1069344033.db2.gz NMVMOPUAHVVPGQ-SANMLTNESA-N 1 3 455.691 3.620 20 0 JHADHO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306683500 1069417237 /nfs/dbraw/zinc/41/72/37/1069417237.db2.gz VWDCQFIJVFIUGP-JOCHJYFZSA-N 1 3 488.124 3.935 20 0 JHADHO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306683500 1069417242 /nfs/dbraw/zinc/41/72/42/1069417242.db2.gz VWDCQFIJVFIUGP-JOCHJYFZSA-N 1 3 488.124 3.935 20 0 JHADHO C[NH+](C)CCCOc1ccc(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)cc1 ZINC001311880755 1069594560 /nfs/dbraw/zinc/59/45/60/1069594560.db2.gz KWULFKPFVUZJTL-UHFFFAOYSA-N 1 3 456.553 3.622 20 0 JHADHO C[C@H]1C[C@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC001312252630 1069810852 /nfs/dbraw/zinc/81/08/52/1069810852.db2.gz KLCHTMYPCZQWDY-DHLKQENFSA-N 1 3 450.627 3.666 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001307058914 1069842268 /nfs/dbraw/zinc/84/22/68/1069842268.db2.gz OPXYJSPTPLMGRZ-CNNODRBYSA-N 1 3 459.708 3.817 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001307058914 1069842301 /nfs/dbraw/zinc/84/23/01/1069842301.db2.gz OPXYJSPTPLMGRZ-CNNODRBYSA-N 1 3 459.708 3.817 20 0 JHADHO CN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312499067 1069974953 /nfs/dbraw/zinc/97/49/53/1069974953.db2.gz GMOPXYVQUADZOI-CLJLJLNGSA-N 1 3 450.627 3.584 20 0 JHADHO CN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001312499067 1069974962 /nfs/dbraw/zinc/97/49/62/1069974962.db2.gz GMOPXYVQUADZOI-CLJLJLNGSA-N 1 3 450.627 3.584 20 0 JHADHO CCN1CCC([N@@H+]2CCCN(Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)CC1 ZINC001307854864 1070212317 /nfs/dbraw/zinc/21/23/17/1070212317.db2.gz KQENMAHQEOQVEY-UHFFFAOYSA-N 1 3 458.448 3.898 20 0 JHADHO CCN1CCC([N@H+]2CCCN(Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)CC1 ZINC001307854864 1070212343 /nfs/dbraw/zinc/21/23/43/1070212343.db2.gz KQENMAHQEOQVEY-UHFFFAOYSA-N 1 3 458.448 3.898 20 0 JHADHO CC[NH+]1CCC(N2CCCN(Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)CC1 ZINC001307854864 1070212355 /nfs/dbraw/zinc/21/23/55/1070212355.db2.gz KQENMAHQEOQVEY-UHFFFAOYSA-N 1 3 458.448 3.898 20 0 JHADHO COC(=O)c1ccc(-c2ccc(CN3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)o2)cc1 ZINC001308749732 1070430301 /nfs/dbraw/zinc/43/03/01/1070430301.db2.gz VWJCMITWMYKRNW-UHFFFAOYSA-N 1 3 453.583 3.547 20 0 JHADHO CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC001313571607 1070686161 /nfs/dbraw/zinc/68/61/61/1070686161.db2.gz AGYKPVIOGLLLLB-NRFANRHFSA-N 1 3 454.663 3.591 20 0 JHADHO CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC001313571607 1070686174 /nfs/dbraw/zinc/68/61/74/1070686174.db2.gz AGYKPVIOGLLLLB-NRFANRHFSA-N 1 3 454.663 3.591 20 0 JHADHO CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314650516 1070758522 /nfs/dbraw/zinc/75/85/22/1070758522.db2.gz RPCOERRSJHIZSB-HSZRJFAPSA-N 1 3 480.636 3.735 20 0 JHADHO C[NH+](C)C1(Cn2c(COc3ccccc3F)nnc2N2CCN(C(C)(C)C)CC2)CCCC1 ZINC001314657840 1070777818 /nfs/dbraw/zinc/77/78/18/1070777818.db2.gz HRWWDIIQHWZEPX-UHFFFAOYSA-N 1 3 458.626 3.791 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001313693514 1070954788 /nfs/dbraw/zinc/95/47/88/1070954788.db2.gz AKJTWRQIRXXERM-OFNKIYASSA-N 1 3 458.626 3.535 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2C[NH+](CC)CC)C[C@H]1C ZINC001313704129 1070988785 /nfs/dbraw/zinc/98/87/85/1070988785.db2.gz GSDXLVHHKNZMHF-ZFGGDYGUSA-N 1 3 454.663 3.591 20 0 JHADHO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001313714393 1071012287 /nfs/dbraw/zinc/01/22/87/1071012287.db2.gz YEGRMJUGTPWRNZ-FJIJXJHWSA-N 1 3 472.653 3.782 20 0 JHADHO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001313714389 1071012320 /nfs/dbraw/zinc/01/23/20/1071012320.db2.gz YEGRMJUGTPWRNZ-BGWNEDDSSA-N 1 3 472.653 3.782 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313864826 1071389555 /nfs/dbraw/zinc/38/95/55/1071389555.db2.gz CKJNCDXWPWGJGH-CBJLPSGESA-N 1 3 454.663 3.702 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313874278 1071428068 /nfs/dbraw/zinc/42/80/68/1071428068.db2.gz OLDXICNOYCZGHE-FUDKSRODSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877374 1071441432 /nfs/dbraw/zinc/44/14/32/1071441432.db2.gz STQYYKWQZPDFEH-HFMPRLQTSA-N 1 3 468.690 3.917 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877374 1071441437 /nfs/dbraw/zinc/44/14/37/1071441437.db2.gz STQYYKWQZPDFEH-HFMPRLQTSA-N 1 3 468.690 3.917 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313877960 1071444032 /nfs/dbraw/zinc/44/40/32/1071444032.db2.gz YAOQUWYXVRGFNI-LRSLUSHPSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313877960 1071444039 /nfs/dbraw/zinc/44/40/39/1071444039.db2.gz YAOQUWYXVRGFNI-LRSLUSHPSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313878933 1071446786 /nfs/dbraw/zinc/44/67/86/1071446786.db2.gz WJRKWEWSSMWYHV-FDFHNCONSA-N 1 3 470.662 3.659 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313878933 1071446793 /nfs/dbraw/zinc/44/67/93/1071446793.db2.gz WJRKWEWSSMWYHV-FDFHNCONSA-N 1 3 470.662 3.659 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313886349 1071470712 /nfs/dbraw/zinc/47/07/12/1071470712.db2.gz SDDBZHKJBWINMZ-FCHUYYIVSA-N 1 3 470.662 3.517 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933183 1071597700 /nfs/dbraw/zinc/59/77/00/1071597700.db2.gz YFCYAQCOBCXBEM-LOSJGSFVSA-N 1 3 487.781 3.841 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933174 1071596829 /nfs/dbraw/zinc/59/68/29/1071596829.db2.gz YFCYAQCOBCXBEM-DQEYMECFSA-N 1 3 487.781 3.841 20 0 JHADHO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(CC)[C@@H](C)C2)CC1 ZINC001313949107 1071635247 /nfs/dbraw/zinc/63/52/47/1071635247.db2.gz HUPKBZITJPSSLP-UXHICEINSA-N 1 3 492.087 3.542 20 0 JHADHO CCN1CCN(C[C@H](C)Cn2c(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951091 1071640496 /nfs/dbraw/zinc/64/04/96/1071640496.db2.gz FJCJXNKNSKDOMR-AHWVRZQESA-N 1 3 495.760 3.808 20 0 JHADHO CCN1CCN(C[C@H](C)Cn2c(N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951091 1071640504 /nfs/dbraw/zinc/64/05/04/1071640504.db2.gz FJCJXNKNSKDOMR-AHWVRZQESA-N 1 3 495.760 3.808 20 0 JHADHO CCO[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCC2CC[NH+](CC)CC2)CCOC1 ZINC001314134477 1072046665 /nfs/dbraw/zinc/04/66/65/1072046665.db2.gz IACWRUZSLKKFNI-MHZLTWQESA-N 1 3 490.737 3.610 20 0 JHADHO CCc1ccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305936442 1068239403 /nfs/dbraw/zinc/23/94/03/1068239403.db2.gz NIKUEAQPMHHHGA-JOCHJYFZSA-N 1 3 468.690 3.786 20 0 JHADHO CCOc1cc(Br)c(F)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001310834104 1069184955 /nfs/dbraw/zinc/18/49/55/1069184955.db2.gz YTLXHZTXZBJZQQ-UHFFFAOYSA-N 1 3 457.388 3.667 20 0 JHADHO CN(Cc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1)C1CC1 ZINC001164681921 719679460 /nfs/dbraw/zinc/67/94/60/719679460.db2.gz OKSBTXHYBISODX-QHCPKHFHSA-N 1 3 475.681 3.769 20 0 JHADHO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306632556 1069334300 /nfs/dbraw/zinc/33/43/00/1069334300.db2.gz ZWESHCSPNZYKNI-VXKWHMMOSA-N 1 3 462.727 3.924 20 0 JHADHO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCN1CCOC ZINC001306632556 1069334307 /nfs/dbraw/zinc/33/43/07/1069334307.db2.gz ZWESHCSPNZYKNI-VXKWHMMOSA-N 1 3 462.727 3.924 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357600 1069341425 /nfs/dbraw/zinc/34/14/25/1069341425.db2.gz JVENAXOZTSLWSS-NVQXNPDNSA-N 1 3 451.659 3.623 20 0 JHADHO CC(=O)Nc1ccc(CN2CCC(NC(=O)NC[C@@H](C(C)C)[NH+]3CCC(C)CC3)CC2)cc1 ZINC001311393661 1069359924 /nfs/dbraw/zinc/35/99/24/1069359924.db2.gz SQNJXXXQXZLYLB-VWLOTQADSA-N 1 3 457.663 3.665 20 0 JHADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001311537868 1069429755 /nfs/dbraw/zinc/42/97/55/1069429755.db2.gz ZWOGYBCQQAPOGY-NRFANRHFSA-N 1 3 450.627 3.810 20 0 JHADHO CN1CCC(N(Cc2ccccc2Br)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001311551503 1069435196 /nfs/dbraw/zinc/43/51/96/1069435196.db2.gz QDKISYRVPLSOFM-UHFFFAOYSA-N 1 3 451.453 3.931 20 0 JHADHO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306726020 1069467692 /nfs/dbraw/zinc/46/76/92/1069467692.db2.gz JFAZMYGIAUQPJQ-WPFOTENUSA-N 1 3 453.679 3.837 20 0 JHADHO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306726020 1069467697 /nfs/dbraw/zinc/46/76/97/1069467697.db2.gz JFAZMYGIAUQPJQ-WPFOTENUSA-N 1 3 453.679 3.837 20 0 JHADHO C[NH+](C)C1(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)Cc2ccccc2C1 ZINC001311895322 1069601930 /nfs/dbraw/zinc/60/19/30/1069601930.db2.gz ILDPXBWZOYHHBQ-UHFFFAOYSA-N 1 3 455.046 3.950 20 0 JHADHO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306807022 1069620146 /nfs/dbraw/zinc/62/01/46/1069620146.db2.gz MEXIFHSFEULMQD-UHFFFAOYSA-N 1 3 461.054 3.631 20 0 JHADHO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306807022 1069620155 /nfs/dbraw/zinc/62/01/55/1069620155.db2.gz MEXIFHSFEULMQD-UHFFFAOYSA-N 1 3 461.054 3.631 20 0 JHADHO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001307039252 1069763749 /nfs/dbraw/zinc/76/37/49/1069763749.db2.gz TUNMPJRTAGUHBF-HXUWFJFHSA-N 1 3 460.617 3.657 20 0 JHADHO CCC[N@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001307039252 1069763756 /nfs/dbraw/zinc/76/37/56/1069763756.db2.gz TUNMPJRTAGUHBF-HXUWFJFHSA-N 1 3 460.617 3.657 20 0 JHADHO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC001307045311 1069781559 /nfs/dbraw/zinc/78/15/59/1069781559.db2.gz UXTZLPWMOMYWOY-OAQYLSRUSA-N 1 3 460.711 3.678 20 0 JHADHO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(CCN(C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046959 1069787529 /nfs/dbraw/zinc/78/75/29/1069787529.db2.gz OVMTWVXYIOFFDH-RUZDIDTESA-N 1 3 481.733 3.562 20 0 JHADHO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(CCN(C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046959 1069787538 /nfs/dbraw/zinc/78/75/38/1069787538.db2.gz OVMTWVXYIOFFDH-RUZDIDTESA-N 1 3 481.733 3.562 20 0 JHADHO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CN1Cc1ccccc1 ZINC001312252635 1069811161 /nfs/dbraw/zinc/81/11/61/1069811161.db2.gz KLCHTMYPCZQWDY-WIOPSUGQSA-N 1 3 450.627 3.666 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001307053969 1069815723 /nfs/dbraw/zinc/81/57/23/1069815723.db2.gz JNTVOJVQRQPQJC-SMIHKQSGSA-N 1 3 459.727 3.661 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001307053969 1069815735 /nfs/dbraw/zinc/81/57/35/1069815735.db2.gz JNTVOJVQRQPQJC-SMIHKQSGSA-N 1 3 459.727 3.661 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314219389 1069862928 /nfs/dbraw/zinc/86/29/28/1069862928.db2.gz YDYQXFCIVFITCV-RJGXRXQPSA-N 1 3 484.689 3.907 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001314219389 1069862950 /nfs/dbraw/zinc/86/29/50/1069862950.db2.gz YDYQXFCIVFITCV-RJGXRXQPSA-N 1 3 484.689 3.907 20 0 JHADHO COCC[N@H+](C)CCCC1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC001307592343 1070069430 /nfs/dbraw/zinc/06/94/30/1070069430.db2.gz ZQUWYYXVWGBLOE-UHFFFAOYSA-N 1 3 455.525 3.591 20 0 JHADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC001307592343 1070069448 /nfs/dbraw/zinc/06/94/48/1070069448.db2.gz ZQUWYYXVWGBLOE-UHFFFAOYSA-N 1 3 455.525 3.591 20 0 JHADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312795840 1070125918 /nfs/dbraw/zinc/12/59/18/1070125918.db2.gz ANULDHVVGPYXEO-HXUWFJFHSA-N 1 3 450.071 3.756 20 0 JHADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312795840 1070125929 /nfs/dbraw/zinc/12/59/29/1070125929.db2.gz ANULDHVVGPYXEO-HXUWFJFHSA-N 1 3 450.071 3.756 20 0 JHADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@H](C)C1 ZINC001307707962 1070137958 /nfs/dbraw/zinc/13/79/58/1070137958.db2.gz RHYCBKURIALTLY-COPCDDAFSA-N 1 3 455.565 3.923 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001309243834 1070638837 /nfs/dbraw/zinc/63/88/37/1070638837.db2.gz JWSBPPTVCIMSIJ-FXSWLTOZSA-N 1 3 455.668 3.755 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001313656567 1070851059 /nfs/dbraw/zinc/85/10/59/1070851059.db2.gz JWPKETBRACKYCA-NHCUHLMSSA-N 1 3 488.652 3.589 20 0 JHADHO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(N2CCN(C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001314857493 1071241016 /nfs/dbraw/zinc/24/10/16/1071241016.db2.gz UPBQVUKHRSFNDR-UHFFFAOYSA-N 1 3 493.741 3.733 20 0 JHADHO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(N2CCN(C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001314857493 1071241007 /nfs/dbraw/zinc/24/10/07/1071241007.db2.gz UPBQVUKHRSFNDR-UHFFFAOYSA-N 1 3 493.741 3.733 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313858903 1071361626 /nfs/dbraw/zinc/36/16/26/1071361626.db2.gz CKMLAXMGZQIIQW-QHAWAJNXSA-N 1 3 458.626 3.962 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313859287 1071363523 /nfs/dbraw/zinc/36/35/23/1071363523.db2.gz FNKZYMIJWSNHHL-JENIJYKNSA-N 1 3 480.499 3.931 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313859558 1071364392 /nfs/dbraw/zinc/36/43/92/1071364392.db2.gz KLGYJQROQIKHRS-AQNXPRMDSA-N 1 3 490.096 3.511 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001313859560 1071364761 /nfs/dbraw/zinc/36/47/61/1071364761.db2.gz KLGYJQROQIKHRS-VAMGGRTRSA-N 1 3 490.096 3.511 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313859557 1071364862 /nfs/dbraw/zinc/36/48/62/1071364862.db2.gz KLGYJQROQIKHRS-AABGKKOBSA-N 1 3 490.096 3.511 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313860248 1071368911 /nfs/dbraw/zinc/36/89/11/1071368911.db2.gz NBFLVXHJUXSLQB-FGZHOGPDSA-N 1 3 481.689 3.941 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313860248 1071368926 /nfs/dbraw/zinc/36/89/26/1071368926.db2.gz NBFLVXHJUXSLQB-FGZHOGPDSA-N 1 3 481.689 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313864827 1071389248 /nfs/dbraw/zinc/38/92/48/1071389248.db2.gz CKJNCDXWPWGJGH-JSRBNTPPSA-N 1 3 454.663 3.702 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866896 1071395874 /nfs/dbraw/zinc/39/58/74/1071395874.db2.gz HRDNRBGTGWGTPW-DHIUTWEWSA-N 1 3 468.690 3.941 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866896 1071395886 /nfs/dbraw/zinc/39/58/86/1071395886.db2.gz HRDNRBGTGWGTPW-DHIUTWEWSA-N 1 3 468.690 3.941 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313868179 1071403423 /nfs/dbraw/zinc/40/34/23/1071403423.db2.gz BEFUIMVTJQBMEX-DHIUTWEWSA-N 1 3 461.658 3.705 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313868179 1071403431 /nfs/dbraw/zinc/40/34/31/1071403431.db2.gz BEFUIMVTJQBMEX-DHIUTWEWSA-N 1 3 461.658 3.705 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313879203 1071448601 /nfs/dbraw/zinc/44/86/01/1071448601.db2.gz ZCKCVVFXYMNEKD-ZRBLBEILSA-N 1 3 484.689 3.905 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313933268 1071597674 /nfs/dbraw/zinc/59/76/74/1071597674.db2.gz YLQNWOLPBOMAGH-JOCHJYFZSA-N 1 3 459.727 3.520 20 0 JHADHO CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001313944463 1071624925 /nfs/dbraw/zinc/62/49/25/1071624925.db2.gz CDELGQCEFBASKS-OFNKIYASSA-N 1 3 474.097 3.545 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)cc2)CC1 ZINC001311358296 1069342131 /nfs/dbraw/zinc/34/21/31/1069342131.db2.gz RDSJRPNZZDXBCP-QFIPXVFZSA-N 1 3 451.659 3.753 20 0 JHADHO CC(C)(CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCc2ccccc2C1 ZINC001311720965 1069519556 /nfs/dbraw/zinc/51/95/56/1069519556.db2.gz ZSSNZBYEEZHULN-UHFFFAOYSA-N 1 3 450.627 3.797 20 0 JHADHO CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC001314169071 1069675567 /nfs/dbraw/zinc/67/55/67/1069675567.db2.gz TWJPGTSAJBQZOW-PWRODBHTSA-N 1 3 470.662 3.613 20 0 JHADHO CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC001314169071 1069675569 /nfs/dbraw/zinc/67/55/69/1069675569.db2.gz TWJPGTSAJBQZOW-PWRODBHTSA-N 1 3 470.662 3.613 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001314219392 1069863083 /nfs/dbraw/zinc/86/30/83/1069863083.db2.gz YDYQXFCIVFITCV-XPWALMASSA-N 1 3 484.689 3.907 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001314219392 1069863109 /nfs/dbraw/zinc/86/31/09/1069863109.db2.gz YDYQXFCIVFITCV-XPWALMASSA-N 1 3 484.689 3.907 20 0 JHADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)CC1 ZINC001307665204 1070111995 /nfs/dbraw/zinc/11/19/95/1070111995.db2.gz FFEASNVWMOKWMY-RUZDIDTESA-N 1 3 454.684 3.693 20 0 JHADHO Cc1nn(C)c(OCC(F)(F)F)c1CNCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC001308198560 1070340276 /nfs/dbraw/zinc/34/02/76/1070340276.db2.gz WUYCIPJOHHMZAD-UHFFFAOYSA-N 1 3 453.553 3.670 20 0 JHADHO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC001308198560 1070340296 /nfs/dbraw/zinc/34/02/96/1070340296.db2.gz WUYCIPJOHHMZAD-UHFFFAOYSA-N 1 3 453.553 3.670 20 0 JHADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC001308281200 1070351427 /nfs/dbraw/zinc/35/14/27/1070351427.db2.gz LSOVLBUFQNLSNX-UHFFFAOYSA-N 1 3 454.578 3.516 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001309243839 1070638877 /nfs/dbraw/zinc/63/88/77/1070638877.db2.gz JWSBPPTVCIMSIJ-ROXDYWFKSA-N 1 3 455.668 3.755 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001309243831 1070638940 /nfs/dbraw/zinc/63/89/40/1070638940.db2.gz JWSBPPTVCIMSIJ-ASDGIDEWSA-N 1 3 455.668 3.755 20 0 JHADHO CN(CCCC[NH+](C)C)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309279025 1070664641 /nfs/dbraw/zinc/66/46/41/1070664641.db2.gz MWMSYTPUWLQWMG-BJKOFHAPSA-N 1 3 464.075 3.911 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001313652279 1070829860 /nfs/dbraw/zinc/82/98/60/1070829860.db2.gz RXXVZBKJZVTYSV-QFIPXVFZSA-N 1 3 481.689 3.942 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001313668671 1070892884 /nfs/dbraw/zinc/89/28/84/1070892884.db2.gz RKVWCLCVNZWOFV-XZOQPEGZSA-N 1 3 484.689 3.585 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313859559 1071364813 /nfs/dbraw/zinc/36/48/13/1071364813.db2.gz KLGYJQROQIKHRS-HSALFYBXSA-N 1 3 490.096 3.511 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313860921 1071372069 /nfs/dbraw/zinc/37/20/69/1071372069.db2.gz NFKVCRCDUFAQGQ-LLGFUMIMSA-N 1 3 475.479 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313860449 1071370311 /nfs/dbraw/zinc/37/03/11/1071370311.db2.gz KZOGXBKBQQOQIF-ONTIZHBOSA-N 1 3 472.678 3.858 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001313868509 1071404511 /nfs/dbraw/zinc/40/45/11/1071404511.db2.gz NWHONMXFJQGGRO-PKTZIBPZSA-N 1 3 468.690 3.867 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313868507 1071404552 /nfs/dbraw/zinc/40/45/52/1071404552.db2.gz NWHONMXFJQGGRO-GOTSBHOMSA-N 1 3 468.690 3.867 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313870647 1071414166 /nfs/dbraw/zinc/41/41/66/1071414166.db2.gz VFSUCCOSJKBNMQ-IRFCIJBXSA-N 1 3 459.708 3.673 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313870647 1071414171 /nfs/dbraw/zinc/41/41/71/1071414171.db2.gz VFSUCCOSJKBNMQ-IRFCIJBXSA-N 1 3 459.708 3.673 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313877961 1071443852 /nfs/dbraw/zinc/44/38/52/1071443852.db2.gz YAOQUWYXVRGFNI-MLNNCEHLSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313877961 1071443855 /nfs/dbraw/zinc/44/38/55/1071443855.db2.gz YAOQUWYXVRGFNI-MLNNCEHLSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927399 1071579906 /nfs/dbraw/zinc/57/99/06/1071579906.db2.gz KIZHCOOYKXXANZ-RPWUZVMVSA-N 1 3 481.733 3.702 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927399 1071579910 /nfs/dbraw/zinc/57/99/10/1071579910.db2.gz KIZHCOOYKXXANZ-RPWUZVMVSA-N 1 3 481.733 3.702 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC001313929581 1071587227 /nfs/dbraw/zinc/58/72/27/1071587227.db2.gz OZEQQGQIZDCSTN-XMMPIXPASA-N 1 3 487.781 3.985 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931380 1071591726 /nfs/dbraw/zinc/59/17/26/1071591726.db2.gz YOIAOCPGVCOCBW-SLQPCKNISA-N 1 3 495.760 3.992 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931380 1071591731 /nfs/dbraw/zinc/59/17/31/1071591731.db2.gz YOIAOCPGVCOCBW-SLQPCKNISA-N 1 3 495.760 3.992 20 0 JHADHO CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986510 1068338417 /nfs/dbraw/zinc/33/84/17/1068338417.db2.gz XLUSGKUODPSSQZ-RTWAWAEBSA-N 1 3 454.663 3.823 20 0 JHADHO Cc1sc2nc(CN3CCCC3)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164680525 719639250 /nfs/dbraw/zinc/63/92/50/719639250.db2.gz UJHWZGXBVRPTJX-UHFFFAOYSA-N 1 3 453.660 3.576 20 0 JHADHO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844341 720741941 /nfs/dbraw/zinc/74/19/41/720741941.db2.gz QBOSAQSKEAHINP-UHFFFAOYSA-N 1 3 462.976 3.906 20 0 JHADHO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164747361 720908021 /nfs/dbraw/zinc/90/80/21/720908021.db2.gz CTBYEPYGHKFFMX-XCZPVHLTSA-N 1 3 461.654 3.828 20 0 JHADHO c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164747361 720908028 /nfs/dbraw/zinc/90/80/28/720908028.db2.gz CTBYEPYGHKFFMX-XCZPVHLTSA-N 1 3 461.654 3.828 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)CCN1CCOC ZINC001306622036 1069311249 /nfs/dbraw/zinc/31/12/49/1069311249.db2.gz VCHXRDOOZHYWNN-HSZRJFAPSA-N 1 3 469.678 3.542 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357596 1069341384 /nfs/dbraw/zinc/34/13/84/1069341384.db2.gz JVENAXOZTSLWSS-BKMJKUGQSA-N 1 3 451.659 3.623 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001306647879 1069359715 /nfs/dbraw/zinc/35/97/15/1069359715.db2.gz QDRNMUURCSQNMQ-QFIPXVFZSA-N 1 3 472.653 3.753 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCC2)CCN1CCOC ZINC001306647902 1069360156 /nfs/dbraw/zinc/36/01/56/1069360156.db2.gz QJBNMSDQMJGVCT-FQEVSTJZSA-N 1 3 458.626 3.506 20 0 JHADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370185 /nfs/dbraw/zinc/37/01/85/1069370185.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 1 3 455.691 3.661 20 0 JHADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370190 /nfs/dbraw/zinc/37/01/90/1069370190.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 1 3 455.691 3.661 20 0 JHADHO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001307041837 1069770007 /nfs/dbraw/zinc/77/00/07/1069770007.db2.gz VBPJOLTWSMKQJM-OAQYLSRUSA-N 1 3 454.663 3.530 20 0 JHADHO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001307041837 1069770011 /nfs/dbraw/zinc/77/00/11/1069770011.db2.gz VBPJOLTWSMKQJM-OAQYLSRUSA-N 1 3 454.663 3.530 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)C1 ZINC001307044491 1069777919 /nfs/dbraw/zinc/77/79/19/1069777919.db2.gz GLHYKQIDTOHHMF-NJYVYQBISA-N 1 3 458.626 3.647 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)C1 ZINC001307044491 1069777932 /nfs/dbraw/zinc/77/79/32/1069777932.db2.gz GLHYKQIDTOHHMF-NJYVYQBISA-N 1 3 458.626 3.647 20 0 JHADHO COCC[N@H+](C)CCCC1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307592070 1070069592 /nfs/dbraw/zinc/06/95/92/1070069592.db2.gz JKHUDUVZIINFON-NRFANRHFSA-N 1 3 452.437 3.773 20 0 JHADHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307592070 1070069612 /nfs/dbraw/zinc/06/96/12/1070069612.db2.gz JKHUDUVZIINFON-NRFANRHFSA-N 1 3 452.437 3.773 20 0 JHADHO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657053 1070106277 /nfs/dbraw/zinc/10/62/77/1070106277.db2.gz GRWIXLXPCMBOGY-RBZJZWSTSA-N 1 3 453.627 3.936 20 0 JHADHO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001307886317 1070226136 /nfs/dbraw/zinc/22/61/36/1070226136.db2.gz QSTMDKFTJZRZNG-LADGPHEKSA-N 1 3 455.643 3.555 20 0 JHADHO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(C)C)CC1 ZINC001313451985 1070381471 /nfs/dbraw/zinc/38/14/71/1070381471.db2.gz GJCZOCIXVCXCCM-QHCPKHFHSA-N 1 3 454.663 3.530 20 0 JHADHO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC(C)C)CC1 ZINC001313451985 1070381488 /nfs/dbraw/zinc/38/14/88/1070381488.db2.gz GJCZOCIXVCXCCM-QHCPKHFHSA-N 1 3 454.663 3.530 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001313721074 1071022692 /nfs/dbraw/zinc/02/26/92/1071022692.db2.gz DHVDILZMQOGMML-RTBURBONSA-N 1 3 479.044 3.626 20 0 JHADHO CC[N@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC2CC2)CC1)C(C)C ZINC001313808329 1071233002 /nfs/dbraw/zinc/23/30/02/1071233002.db2.gz FINHVMQSRJYPHX-UHFFFAOYSA-N 1 3 461.054 3.869 20 0 JHADHO CC[N@@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC2CC2)CC1)C(C)C ZINC001313808329 1071233012 /nfs/dbraw/zinc/23/30/12/1071233012.db2.gz FINHVMQSRJYPHX-UHFFFAOYSA-N 1 3 461.054 3.869 20 0 JHADHO CCN(CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001313810100 1071239625 /nfs/dbraw/zinc/23/96/25/1071239625.db2.gz SIGWYPPQZZVNRZ-GOSISDBHSA-N 1 3 498.594 3.810 20 0 JHADHO CCN(CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001313810100 1071239628 /nfs/dbraw/zinc/23/96/28/1071239628.db2.gz SIGWYPPQZZVNRZ-GOSISDBHSA-N 1 3 498.594 3.810 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313860920 1071372281 /nfs/dbraw/zinc/37/22/81/1071372281.db2.gz NFKVCRCDUFAQGQ-FIKGOQFSSA-N 1 3 475.479 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313861283 1071372776 /nfs/dbraw/zinc/37/27/76/1071372776.db2.gz QCGFUZUVOKHETK-VXKWHMMOSA-N 1 3 482.677 3.501 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001313863213 1071380114 /nfs/dbraw/zinc/38/01/14/1071380114.db2.gz RZGFIWLPWWGWCK-ZRNYENFQSA-N 1 3 458.626 3.959 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001313863213 1071380127 /nfs/dbraw/zinc/38/01/27/1071380127.db2.gz RZGFIWLPWWGWCK-ZRNYENFQSA-N 1 3 458.626 3.959 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313864828 1071389063 /nfs/dbraw/zinc/38/90/63/1071389063.db2.gz CKJNCDXWPWGJGH-NEUULRRLSA-N 1 3 454.663 3.702 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313868075 1071402652 /nfs/dbraw/zinc/40/26/52/1071402652.db2.gz AIBAVMRTTNXGEJ-TYBLODHISA-N 1 3 456.704 3.534 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868180 1071403273 /nfs/dbraw/zinc/40/32/73/1071403273.db2.gz BEFUIMVTJQBMEX-GOTSBHOMSA-N 1 3 461.658 3.705 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868180 1071403276 /nfs/dbraw/zinc/40/32/76/1071403276.db2.gz BEFUIMVTJQBMEX-GOTSBHOMSA-N 1 3 461.658 3.705 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313870651 1071415060 /nfs/dbraw/zinc/41/50/60/1071415060.db2.gz VFSUCCOSJKBNMQ-ZJOUEHCJSA-N 1 3 459.708 3.673 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313870651 1071415066 /nfs/dbraw/zinc/41/50/66/1071415066.db2.gz VFSUCCOSJKBNMQ-ZJOUEHCJSA-N 1 3 459.708 3.673 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313874871 1071431503 /nfs/dbraw/zinc/43/15/03/1071431503.db2.gz QRMQLSTWYDEFHU-RBUKOAKNSA-N 1 3 461.054 3.628 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313877308 1071440766 /nfs/dbraw/zinc/44/07/66/1071440766.db2.gz WMTQBAWTGUAICN-LUKWVAJMSA-N 1 3 455.695 3.961 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313883116 1071460727 /nfs/dbraw/zinc/46/07/27/1071460727.db2.gz IGCMVDORTXRBKL-ACRUOGEOSA-N 1 3 458.626 3.647 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313883116 1071460735 /nfs/dbraw/zinc/46/07/35/1071460735.db2.gz IGCMVDORTXRBKL-ACRUOGEOSA-N 1 3 458.626 3.647 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927400 1071580136 /nfs/dbraw/zinc/58/01/36/1071580136.db2.gz KIZHCOOYKXXANZ-ZEQRLZLVSA-N 1 3 481.733 3.702 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927400 1071580148 /nfs/dbraw/zinc/58/01/48/1071580148.db2.gz KIZHCOOYKXXANZ-ZEQRLZLVSA-N 1 3 481.733 3.702 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931382 1071591684 /nfs/dbraw/zinc/59/16/84/1071591684.db2.gz YOIAOCPGVCOCBW-WEWMWRJBSA-N 1 3 495.760 3.992 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931382 1071591689 /nfs/dbraw/zinc/59/16/89/1071591689.db2.gz YOIAOCPGVCOCBW-WEWMWRJBSA-N 1 3 495.760 3.992 20 0 JHADHO CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001313948593 1071634119 /nfs/dbraw/zinc/63/41/19/1071634119.db2.gz LSLNSOHZMJXMHH-QHCPKHFHSA-N 1 3 499.773 3.683 20 0 JHADHO C[NH+](C)CCn1cc(NC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC001310933435 1069226527 /nfs/dbraw/zinc/22/65/27/1069226527.db2.gz QFJCRQBSKKOQNA-UHFFFAOYSA-N 1 3 453.418 3.881 20 0 JHADHO CCOC(=O)c1c[nH]c2cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)[nH+]cc12 ZINC001164906191 721721470 /nfs/dbraw/zinc/72/14/70/721721470.db2.gz KRVFNAJODFAJFQ-QHCPKHFHSA-N 1 3 455.509 3.872 20 0 JHADHO COc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)cc1 ZINC001311343284 1069330353 /nfs/dbraw/zinc/33/03/53/1069330353.db2.gz CRXFFLZPYSYRBI-DSBYRVASSA-N 1 3 450.627 3.899 20 0 JHADHO COc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)cc1 ZINC001311343284 1069330371 /nfs/dbraw/zinc/33/03/71/1069330371.db2.gz CRXFFLZPYSYRBI-DSBYRVASSA-N 1 3 450.627 3.899 20 0 JHADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)cc1 ZINC001311343288 1069330871 /nfs/dbraw/zinc/33/08/71/1069330871.db2.gz CRXFFLZPYSYRBI-QQSVUBKYSA-N 1 3 450.627 3.899 20 0 JHADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)cc1 ZINC001311343288 1069330883 /nfs/dbraw/zinc/33/08/83/1069330883.db2.gz CRXFFLZPYSYRBI-QQSVUBKYSA-N 1 3 450.627 3.899 20 0 JHADHO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306682322 1069413154 /nfs/dbraw/zinc/41/31/54/1069413154.db2.gz GTRBNWXWNJPUEQ-UHFFFAOYSA-N 1 3 461.054 3.631 20 0 JHADHO CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306682322 1069413159 /nfs/dbraw/zinc/41/31/59/1069413159.db2.gz GTRBNWXWNJPUEQ-UHFFFAOYSA-N 1 3 461.054 3.631 20 0 JHADHO CC1CCN([C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cccs2)CC1 ZINC001311569768 1069442168 /nfs/dbraw/zinc/44/21/68/1069442168.db2.gz GTSZLGOMXRNCDF-PKTZIBPZSA-N 1 3 456.656 3.587 20 0 JHADHO CC1CCN([C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccs2)CC1 ZINC001311569768 1069442176 /nfs/dbraw/zinc/44/21/76/1069442176.db2.gz GTSZLGOMXRNCDF-PKTZIBPZSA-N 1 3 456.656 3.587 20 0 JHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1Cl ZINC001311567930 1069441377 /nfs/dbraw/zinc/44/13/77/1069441377.db2.gz NBGJGDCQXYVQIU-NZQKXSOJSA-N 1 3 450.071 3.533 20 0 JHADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1Cl ZINC001311567930 1069441380 /nfs/dbraw/zinc/44/13/80/1069441380.db2.gz NBGJGDCQXYVQIU-NZQKXSOJSA-N 1 3 450.071 3.533 20 0 JHADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306786683 1069589894 /nfs/dbraw/zinc/58/98/94/1069589894.db2.gz YOFDMVWZAHFZBL-HYBUGGRVSA-N 1 3 465.621 3.950 20 0 JHADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306786683 1069589905 /nfs/dbraw/zinc/58/99/05/1069589905.db2.gz YOFDMVWZAHFZBL-HYBUGGRVSA-N 1 3 465.621 3.950 20 0 JHADHO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001307031982 1069743207 /nfs/dbraw/zinc/74/32/07/1069743207.db2.gz PIMLHZAOPBGAFN-UHFFFAOYSA-N 1 3 484.689 3.862 20 0 JHADHO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)C1 ZINC001307044488 1069778316 /nfs/dbraw/zinc/77/83/16/1069778316.db2.gz GLHYKQIDTOHHMF-ACRUOGEOSA-N 1 3 458.626 3.647 20 0 JHADHO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)C1 ZINC001307044488 1069778325 /nfs/dbraw/zinc/77/83/25/1069778325.db2.gz GLHYKQIDTOHHMF-ACRUOGEOSA-N 1 3 458.626 3.647 20 0 JHADHO CCOCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314323432 1070108675 /nfs/dbraw/zinc/10/86/75/1070108675.db2.gz RUPZJVZINVPBLI-NHCUHLMSSA-N 1 3 454.663 3.570 20 0 JHADHO CCOCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314323432 1070108683 /nfs/dbraw/zinc/10/86/83/1070108683.db2.gz RUPZJVZINVPBLI-NHCUHLMSSA-N 1 3 454.663 3.570 20 0 JHADHO CCOCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001314399286 1070259710 /nfs/dbraw/zinc/25/97/10/1070259710.db2.gz SYTPXGFVZJNUKX-QFIPXVFZSA-N 1 3 460.642 3.815 20 0 JHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001313340169 1070331573 /nfs/dbraw/zinc/33/15/73/1070331573.db2.gz BJIIOSKEGIACEH-UIOOFZCWSA-N 1 3 456.675 3.614 20 0 JHADHO CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001313340169 1070331592 /nfs/dbraw/zinc/33/15/92/1070331592.db2.gz BJIIOSKEGIACEH-UIOOFZCWSA-N 1 3 456.675 3.614 20 0 JHADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3c(C(=O)OC(C)(C)C)cnn3C)cc2)C[C@@H]1C ZINC001308352477 1070361006 /nfs/dbraw/zinc/36/10/06/1070361006.db2.gz DNADYAWWUKZNNC-PMACEKPBSA-N 1 3 456.631 3.674 20 0 JHADHO Cc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c(-c2ccnn2C)c1 ZINC001308601825 1070399531 /nfs/dbraw/zinc/39/95/31/1070399531.db2.gz WTMIUALKDKUDDW-UHFFFAOYSA-N 1 3 459.638 3.856 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001313666631 1070884809 /nfs/dbraw/zinc/88/48/09/1070884809.db2.gz IKDMABJTARRQRJ-JOCHJYFZSA-N 1 3 454.663 3.960 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313666739 1070885422 /nfs/dbraw/zinc/88/54/22/1070885422.db2.gz IUESOUXTRJWYNE-SFTDATJTSA-N 1 3 489.108 3.942 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313667842 1070890362 /nfs/dbraw/zinc/89/03/62/1070890362.db2.gz LQEAUSHHOYIVMD-NJYVYQBISA-N 1 3 491.725 3.700 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313669839 1070895572 /nfs/dbraw/zinc/89/55/72/1070895572.db2.gz DQUMOUCDAFRJJQ-QHAWAJNXSA-N 1 3 451.663 3.999 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001313695030 1070958807 /nfs/dbraw/zinc/95/88/07/1070958807.db2.gz ZXVJZKGPPAALGN-JOCHJYFZSA-N 1 3 467.687 3.939 20 0 JHADHO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001313704868 1070991937 /nfs/dbraw/zinc/99/19/37/1070991937.db2.gz NXLBUEXRMWJQNI-DEOSSOPVSA-N 1 3 495.716 3.678 20 0 JHADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCC[NH+](CC)CC)C2)CC1 ZINC001313712671 1071009611 /nfs/dbraw/zinc/00/96/11/1071009611.db2.gz RIEUENMRYGDDRI-OAQYLSRUSA-N 1 3 492.087 3.686 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313858901 1071360345 /nfs/dbraw/zinc/36/03/45/1071360345.db2.gz CKMLAXMGZQIIQW-PCCBWWKXSA-N 1 3 458.626 3.962 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1C ZINC001313859156 1071362572 /nfs/dbraw/zinc/36/25/72/1071362572.db2.gz DYDLSGZBKVTIQQ-SXWKCWPCSA-N 1 3 475.081 3.754 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1C ZINC001313859156 1071362585 /nfs/dbraw/zinc/36/25/85/1071362585.db2.gz DYDLSGZBKVTIQQ-SXWKCWPCSA-N 1 3 475.081 3.754 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313860247 1071368677 /nfs/dbraw/zinc/36/86/77/1071368677.db2.gz NBFLVXHJUXSLQB-FCHUYYIVSA-N 1 3 481.689 3.941 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313860247 1071368695 /nfs/dbraw/zinc/36/86/95/1071368695.db2.gz NBFLVXHJUXSLQB-FCHUYYIVSA-N 1 3 481.689 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313860412 1071369172 /nfs/dbraw/zinc/36/91/72/1071369172.db2.gz KLOQBJMFFYMBKL-HKBOAZHASA-N 1 3 464.662 3.984 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313873227 1071424845 /nfs/dbraw/zinc/42/48/45/1071424845.db2.gz KIAQLTWJTKFHJP-ODAXIHTASA-N 1 3 467.706 3.939 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313873619 1071425778 /nfs/dbraw/zinc/42/57/78/1071425778.db2.gz MOFQCGGIJNJFSI-HKBOAZHASA-N 1 3 458.626 3.504 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313873619 1071425782 /nfs/dbraw/zinc/42/57/82/1071425782.db2.gz MOFQCGGIJNJFSI-HKBOAZHASA-N 1 3 458.626 3.504 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313886305 1071469767 /nfs/dbraw/zinc/46/97/67/1071469767.db2.gz RKIRXANBWLSVJD-FNAHDJPLSA-N 1 3 492.778 3.943 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313886352 1071470760 /nfs/dbraw/zinc/47/07/60/1071470760.db2.gz SDDBZHKJBWINMZ-YADHBBJMSA-N 1 3 470.662 3.517 20 0 JHADHO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001313898293 1071504875 /nfs/dbraw/zinc/50/48/75/1071504875.db2.gz PSEQEWAOWUJGIR-RTWAWAEBSA-N 1 3 489.709 3.612 20 0 JHADHO CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001313898293 1071504885 /nfs/dbraw/zinc/50/48/85/1071504885.db2.gz PSEQEWAOWUJGIR-RTWAWAEBSA-N 1 3 489.709 3.612 20 0 JHADHO CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12 ZINC001164800550 721543798 /nfs/dbraw/zinc/54/37/98/721543798.db2.gz CHFLIVJJHLVBRP-GKRYNVPLSA-N 1 3 469.633 3.903 20 0 JHADHO CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12 ZINC001164800550 721543801 /nfs/dbraw/zinc/54/38/01/721543801.db2.gz CHFLIVJJHLVBRP-GKRYNVPLSA-N 1 3 469.633 3.903 20 0 JHADHO C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819209 1069559087 /nfs/dbraw/zinc/55/90/87/1069559087.db2.gz GXIWYTBDYVMXSW-YJGRUCBDSA-N 1 3 457.569 3.522 20 0 JHADHO CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306802755 1069610265 /nfs/dbraw/zinc/61/02/65/1069610265.db2.gz PVCJCCCRDAXRBS-QHCPKHFHSA-N 1 3 474.097 3.547 20 0 JHADHO CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306802755 1069610272 /nfs/dbraw/zinc/61/02/72/1069610272.db2.gz PVCJCCCRDAXRBS-QHCPKHFHSA-N 1 3 474.097 3.547 20 0 JHADHO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001307030352 1069738621 /nfs/dbraw/zinc/73/86/21/1069738621.db2.gz BHHMKNWJUUQURE-UHFFFAOYSA-N 1 3 484.689 3.862 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001307057455 1069834498 /nfs/dbraw/zinc/83/44/98/1069834498.db2.gz FWXBJPNBUNASKE-OAQYLSRUSA-N 1 3 459.708 3.819 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001307057455 1069834518 /nfs/dbraw/zinc/83/45/18/1069834518.db2.gz FWXBJPNBUNASKE-OAQYLSRUSA-N 1 3 459.708 3.819 20 0 JHADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001307058916 1069842014 /nfs/dbraw/zinc/84/20/14/1069842014.db2.gz OPXYJSPTPLMGRZ-WOIUINJBSA-N 1 3 459.708 3.817 20 0 JHADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001307058916 1069842036 /nfs/dbraw/zinc/84/20/36/1069842036.db2.gz OPXYJSPTPLMGRZ-WOIUINJBSA-N 1 3 459.708 3.817 20 0 JHADHO CN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312499069 1069974821 /nfs/dbraw/zinc/97/48/21/1069974821.db2.gz GMOPXYVQUADZOI-IZZNHLLZSA-N 1 3 450.627 3.584 20 0 JHADHO CN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001312499069 1069974830 /nfs/dbraw/zinc/97/48/30/1069974830.db2.gz GMOPXYVQUADZOI-IZZNHLLZSA-N 1 3 450.627 3.584 20 0 JHADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(I)c1 ZINC001308441974 1070376183 /nfs/dbraw/zinc/37/61/83/1070376183.db2.gz RXQXOWVHEMLBFC-TZIWHRDSSA-N 1 3 450.364 3.918 20 0 JHADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(I)c1 ZINC001308441974 1070376198 /nfs/dbraw/zinc/37/61/98/1070376198.db2.gz RXQXOWVHEMLBFC-TZIWHRDSSA-N 1 3 450.364 3.918 20 0 JHADHO CC[N@H+](C)Cc1cccc(Cn2c(N3CCN(CC4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313572779 1070687485 /nfs/dbraw/zinc/68/74/85/1070687485.db2.gz BPBLTJUOESDGJL-UHFFFAOYSA-N 1 3 468.690 3.624 20 0 JHADHO CC[N@@H+](C)Cc1cccc(Cn2c(N3CCN(CC4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313572779 1070687493 /nfs/dbraw/zinc/68/74/93/1070687493.db2.gz BPBLTJUOESDGJL-UHFFFAOYSA-N 1 3 468.690 3.624 20 0 JHADHO CC[NH+](CC)[C@H](Cn1c(C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccsc1 ZINC001313666873 1070887550 /nfs/dbraw/zinc/88/75/50/1070887550.db2.gz YFKLZLUBSOLJGK-TUACAJSNSA-N 1 3 484.718 3.984 20 0 JHADHO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)(C)C)CC1)c1ccsc1 ZINC001313675204 1070915047 /nfs/dbraw/zinc/91/50/47/1070915047.db2.gz YALZUPNKPFLBLU-OAQYLSRUSA-N 1 3 470.691 3.744 20 0 JHADHO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001313711170 1071005585 /nfs/dbraw/zinc/00/55/85/1071005585.db2.gz MZGXDUPAERIXKO-DEOSSOPVSA-N 1 3 488.124 3.935 20 0 JHADHO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)CCC(F)(F)F ZINC001313810751 1071242684 /nfs/dbraw/zinc/24/26/84/1071242684.db2.gz WQTYPIXGKNMOHG-AEFFLSMTSA-N 1 3 485.986 3.941 20 0 JHADHO CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)CCC(F)(F)F ZINC001313810751 1071242690 /nfs/dbraw/zinc/24/26/90/1071242690.db2.gz WQTYPIXGKNMOHG-AEFFLSMTSA-N 1 3 485.986 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001313864606 1071387669 /nfs/dbraw/zinc/38/76/69/1071387669.db2.gz ZDCTWUHFVHDJAU-ROUUACIJSA-N 1 3 463.468 3.967 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001313864606 1071387686 /nfs/dbraw/zinc/38/76/86/1071387686.db2.gz ZDCTWUHFVHDJAU-ROUUACIJSA-N 1 3 463.468 3.967 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866905 1071397049 /nfs/dbraw/zinc/39/70/49/1071397049.db2.gz HRDNRBGTGWGTPW-XZOQPEGZSA-N 1 3 468.690 3.941 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866905 1071397063 /nfs/dbraw/zinc/39/70/63/1071397063.db2.gz HRDNRBGTGWGTPW-XZOQPEGZSA-N 1 3 468.690 3.941 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313868285 1071403338 /nfs/dbraw/zinc/40/33/38/1071403338.db2.gz NJBSCPSEGAZTHK-HKBOAZHASA-N 1 3 470.662 3.613 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313877434 1071441465 /nfs/dbraw/zinc/44/14/65/1071441465.db2.gz TZXMLXWULVFOKY-PCCBWWKXSA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313877434 1071441471 /nfs/dbraw/zinc/44/14/71/1071441471.db2.gz TZXMLXWULVFOKY-PCCBWWKXSA-N 1 3 490.643 3.567 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001313878798 1071445861 /nfs/dbraw/zinc/44/58/61/1071445861.db2.gz VTSRGOGCBCVFDN-PKTZIBPZSA-N 1 3 454.663 3.960 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001313878796 1071446065 /nfs/dbraw/zinc/44/60/65/1071446065.db2.gz VTSRGOGCBCVFDN-DHIUTWEWSA-N 1 3 454.663 3.960 20 0 JHADHO CC[NH+]1CCC(CCn2c(-c3ccc(OC)cc3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001313882152 1071457550 /nfs/dbraw/zinc/45/75/50/1071457550.db2.gz VZRQLUGWFLDRDV-UHFFFAOYSA-N 1 3 454.663 3.854 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001313881755 1071455871 /nfs/dbraw/zinc/45/58/71/1071455871.db2.gz CRJICTLTBFNOAJ-AQCRLBJHSA-N 1 3 489.709 3.752 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001313881755 1071455876 /nfs/dbraw/zinc/45/58/76/1071455876.db2.gz CRJICTLTBFNOAJ-AQCRLBJHSA-N 1 3 489.709 3.752 20 0 JHADHO CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001313884064 1071463444 /nfs/dbraw/zinc/46/34/44/1071463444.db2.gz YSXHJBKBFYNPSV-UHFFFAOYSA-N 1 3 468.690 3.920 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC001313929575 1071587247 /nfs/dbraw/zinc/58/72/47/1071587247.db2.gz OZEQQGQIZDCSTN-DEOSSOPVSA-N 1 3 487.781 3.985 20 0 JHADHO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC001305930777 1068230044 /nfs/dbraw/zinc/23/00/44/1068230044.db2.gz YCXQGLZMLDBLTP-HWBMXIPRSA-N 1 3 468.690 3.783 20 0 JHADHO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC001305930777 1068230055 /nfs/dbraw/zinc/23/00/55/1068230055.db2.gz YCXQGLZMLDBLTP-HWBMXIPRSA-N 1 3 468.690 3.783 20 0 JHADHO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC001305930776 1068230423 /nfs/dbraw/zinc/23/04/23/1068230423.db2.gz YCXQGLZMLDBLTP-FBLLAGFSSA-N 1 3 468.690 3.783 20 0 JHADHO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC001305930776 1068230430 /nfs/dbraw/zinc/23/04/30/1068230430.db2.gz YCXQGLZMLDBLTP-FBLLAGFSSA-N 1 3 468.690 3.783 20 0 JHADHO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164659996 719353065 /nfs/dbraw/zinc/35/30/65/719353065.db2.gz UDUPBGKYMYAMGF-UHFFFAOYSA-N 1 3 471.653 3.704 20 0 JHADHO CC(C)CN(c1ccc(CN(C)C2CC2)cn1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967871 722078590 /nfs/dbraw/zinc/07/85/90/722078590.db2.gz LRWKNKLELLWLEM-UHFFFAOYSA-N 1 3 476.669 3.789 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306648488 1069360007 /nfs/dbraw/zinc/36/00/07/1069360007.db2.gz RHJXYLLWMUEIRN-VWNXMTODSA-N 1 3 468.690 3.923 20 0 JHADHO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306648488 1069360018 /nfs/dbraw/zinc/36/00/18/1069360018.db2.gz RHJXYLLWMUEIRN-VWNXMTODSA-N 1 3 468.690 3.923 20 0 JHADHO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306802186 1069608185 /nfs/dbraw/zinc/60/81/85/1069608185.db2.gz HLRUBENIYAKCBJ-IAGOWNOFSA-N 1 3 466.472 3.687 20 0 JHADHO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306802186 1069608189 /nfs/dbraw/zinc/60/81/89/1069608189.db2.gz HLRUBENIYAKCBJ-IAGOWNOFSA-N 1 3 466.472 3.687 20 0 JHADHO CC(C)N1CCN(CCC[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC001307577380 1070062242 /nfs/dbraw/zinc/06/22/42/1070062242.db2.gz WMLNSLWMYVPJCW-UHFFFAOYSA-N 1 3 451.453 3.516 20 0 JHADHO C[C@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CCN1Cc1ccccc1 ZINC001312669611 1070072376 /nfs/dbraw/zinc/07/23/76/1070072376.db2.gz AVTBHEHESMIAEN-QFIPXVFZSA-N 1 3 450.627 3.966 20 0 JHADHO COC(=O)c1cc(C[N@H+](C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC001307885419 1070226095 /nfs/dbraw/zinc/22/60/95/1070226095.db2.gz OKZQVDABRHBGDW-KDURUIRLSA-N 1 3 454.567 3.501 20 0 JHADHO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC001307885419 1070226110 /nfs/dbraw/zinc/22/61/10/1070226110.db2.gz OKZQVDABRHBGDW-KDURUIRLSA-N 1 3 454.567 3.501 20 0 JHADHO CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001314384159 1070228203 /nfs/dbraw/zinc/22/82/03/1070228203.db2.gz BJZIDMOYVZHBBT-JOCHJYFZSA-N 1 3 470.662 3.581 20 0 JHADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(Br)cc1OCCCO ZINC001308793474 1070438809 /nfs/dbraw/zinc/43/88/09/1070438809.db2.gz QFYBXXJZOWLDBS-BWDFOLQRSA-N 1 3 455.437 3.894 20 0 JHADHO CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653581 1070766527 /nfs/dbraw/zinc/76/65/27/1070766527.db2.gz ZZRYCWPQBGKZPO-GGAORHGYSA-N 1 3 472.653 3.782 20 0 JHADHO CCN(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313676486 1070921296 /nfs/dbraw/zinc/92/12/96/1070921296.db2.gz FBJZPNYQQSXKBP-KNQAVFIVSA-N 1 3 460.692 3.893 20 0 JHADHO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001313693512 1070954755 /nfs/dbraw/zinc/95/47/55/1070954755.db2.gz AKJTWRQIRXXERM-NFBKMPQASA-N 1 3 458.626 3.535 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313858899 1071360877 /nfs/dbraw/zinc/36/08/77/1071360877.db2.gz CKMLAXMGZQIIQW-ACRUOGEOSA-N 1 3 458.626 3.962 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]1C ZINC001313859154 1071362736 /nfs/dbraw/zinc/36/27/36/1071362736.db2.gz DYDLSGZBKVTIQQ-JTAQYXEDSA-N 1 3 475.081 3.754 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@@H]1C ZINC001313859154 1071362750 /nfs/dbraw/zinc/36/27/50/1071362750.db2.gz DYDLSGZBKVTIQQ-JTAQYXEDSA-N 1 3 475.081 3.754 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313860824 1071372319 /nfs/dbraw/zinc/37/23/19/1071372319.db2.gz OPVFDGKMTLNWGE-WOVHNISZSA-N 1 3 499.729 3.503 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313874335 1071427878 /nfs/dbraw/zinc/42/78/78/1071427878.db2.gz NNQDTGTYTKOACI-PKTZIBPZSA-N 1 3 453.679 3.839 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313874280 1071427960 /nfs/dbraw/zinc/42/79/60/1071427960.db2.gz OLDXICNOYCZGHE-GIWBLDEGSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313875311 1071432668 /nfs/dbraw/zinc/43/26/68/1071432668.db2.gz PVIKPYMJQIEMJX-VXKWHMMOSA-N 1 3 453.679 3.837 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313875311 1071432674 /nfs/dbraw/zinc/43/26/74/1071432674.db2.gz PVIKPYMJQIEMJX-VXKWHMMOSA-N 1 3 453.679 3.837 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313875313 1071433648 /nfs/dbraw/zinc/43/36/48/1071433648.db2.gz PVIKPYMJQIEMJX-YADHBBJMSA-N 1 3 453.679 3.837 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313875313 1071433651 /nfs/dbraw/zinc/43/36/51/1071433651.db2.gz PVIKPYMJQIEMJX-YADHBBJMSA-N 1 3 453.679 3.837 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313878931 1071446867 /nfs/dbraw/zinc/44/68/67/1071446867.db2.gz WITVUJXYGZWPCK-ZEQRLZLVSA-N 1 3 498.716 3.628 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313879266 1071448443 /nfs/dbraw/zinc/44/84/43/1071448443.db2.gz ZSNWATMVZIYPGK-FUDKSRODSA-N 1 3 454.663 3.671 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313879266 1071448449 /nfs/dbraw/zinc/44/84/49/1071448449.db2.gz ZSNWATMVZIYPGK-FUDKSRODSA-N 1 3 454.663 3.671 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313883118 1071460383 /nfs/dbraw/zinc/46/03/83/1071460383.db2.gz IGCMVDORTXRBKL-HKBOAZHASA-N 1 3 458.626 3.647 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313883118 1071460394 /nfs/dbraw/zinc/46/03/94/1071460394.db2.gz IGCMVDORTXRBKL-HKBOAZHASA-N 1 3 458.626 3.647 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919436 1071557133 /nfs/dbraw/zinc/55/71/33/1071557133.db2.gz BMIHBPFGFYRTGF-DNQXCXABSA-N 1 3 473.754 3.908 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919436 1071557136 /nfs/dbraw/zinc/55/71/36/1071557136.db2.gz BMIHBPFGFYRTGF-DNQXCXABSA-N 1 3 473.754 3.908 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927398 1071579951 /nfs/dbraw/zinc/57/99/51/1071579951.db2.gz KIZHCOOYKXXANZ-DNQXCXABSA-N 1 3 481.733 3.702 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927398 1071579955 /nfs/dbraw/zinc/57/99/55/1071579955.db2.gz KIZHCOOYKXXANZ-DNQXCXABSA-N 1 3 481.733 3.702 20 0 JHADHO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC001305930779 1068230180 /nfs/dbraw/zinc/23/01/80/1068230180.db2.gz YCXQGLZMLDBLTP-WRALFONMSA-N 1 3 468.690 3.783 20 0 JHADHO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC001305930779 1068230192 /nfs/dbraw/zinc/23/01/92/1068230192.db2.gz YCXQGLZMLDBLTP-WRALFONMSA-N 1 3 468.690 3.783 20 0 JHADHO CCc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305985982 1068336774 /nfs/dbraw/zinc/33/67/74/1068336774.db2.gz CTMSMGTTYLHRRR-HSZRJFAPSA-N 1 3 498.716 3.841 20 0 JHADHO CCc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305985982 1068336792 /nfs/dbraw/zinc/33/67/92/1068336792.db2.gz CTMSMGTTYLHRRR-HSZRJFAPSA-N 1 3 498.716 3.841 20 0 JHADHO CCC[C@@H]1CN(c2nnc(C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCN1CCOC ZINC001306615137 1069295490 /nfs/dbraw/zinc/29/54/90/1069295490.db2.gz DRBLRKHFTYUIJO-IZZNHLLZSA-N 1 3 468.690 3.826 20 0 JHADHO CCC[C@@H]1CN(c2nnc(C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCN1CCOC ZINC001306615137 1069295499 /nfs/dbraw/zinc/29/54/99/1069295499.db2.gz DRBLRKHFTYUIJO-IZZNHLLZSA-N 1 3 468.690 3.826 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306621275 1069309514 /nfs/dbraw/zinc/30/95/14/1069309514.db2.gz XOXVYZPIIZQGPI-QZNHQXDQSA-N 1 3 472.678 3.904 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCN1CCOC ZINC001306621275 1069309527 /nfs/dbraw/zinc/30/95/27/1069309527.db2.gz XOXVYZPIIZQGPI-QZNHQXDQSA-N 1 3 472.678 3.904 20 0 JHADHO C[NH+](C)[C@@H]1CCCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)C1 ZINC001165037845 721894893 /nfs/dbraw/zinc/89/48/93/721894893.db2.gz ZOKWIKYOOFZPQJ-LJQANCHMSA-N 1 3 455.002 3.927 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357380 1069340923 /nfs/dbraw/zinc/34/09/23/1069340923.db2.gz HHBJBCYMGXGGTH-BVAGGSTKSA-N 1 3 455.691 3.620 20 0 JHADHO CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357380 1069340941 /nfs/dbraw/zinc/34/09/41/1069340941.db2.gz HHBJBCYMGXGGTH-BVAGGSTKSA-N 1 3 455.691 3.620 20 0 JHADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC001311379584 1069353305 /nfs/dbraw/zinc/35/33/05/1069353305.db2.gz DGGRXBRHOZORLW-DNQXCXABSA-N 1 3 455.691 3.849 20 0 JHADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001311379584 1069353315 /nfs/dbraw/zinc/35/33/15/1069353315.db2.gz DGGRXBRHOZORLW-DNQXCXABSA-N 1 3 455.691 3.849 20 0 JHADHO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001306722426 1069460529 /nfs/dbraw/zinc/46/05/29/1069460529.db2.gz LBGBZFBDJMYINL-WXFUMESZSA-N 1 3 459.727 3.662 20 0 JHADHO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001306722426 1069460535 /nfs/dbraw/zinc/46/05/35/1069460535.db2.gz LBGBZFBDJMYINL-WXFUMESZSA-N 1 3 459.727 3.662 20 0 JHADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001306784910 1069586013 /nfs/dbraw/zinc/58/60/13/1069586013.db2.gz OZQXIQXEJZSQOA-TZIWHRDSSA-N 1 3 453.660 3.873 20 0 JHADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001306784910 1069586017 /nfs/dbraw/zinc/58/60/17/1069586017.db2.gz OZQXIQXEJZSQOA-TZIWHRDSSA-N 1 3 453.660 3.873 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001314219390 1069862339 /nfs/dbraw/zinc/86/23/39/1069862339.db2.gz YDYQXFCIVFITCV-VABKMULXSA-N 1 3 484.689 3.907 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001314219390 1069862361 /nfs/dbraw/zinc/86/23/61/1069862361.db2.gz YDYQXFCIVFITCV-VABKMULXSA-N 1 3 484.689 3.907 20 0 JHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001307594554 1070071138 /nfs/dbraw/zinc/07/11/38/1070071138.db2.gz WHOUNLXRHUBRDW-LIKDZFNVSA-N 1 3 453.602 3.883 20 0 JHADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001307594555 1070070605 /nfs/dbraw/zinc/07/06/05/1070070605.db2.gz WHOUNLXRHUBRDW-RFLWCCGPSA-N 1 3 453.602 3.883 20 0 JHADHO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657054 1070106433 /nfs/dbraw/zinc/10/64/33/1070106433.db2.gz GRWIXLXPCMBOGY-ZZWZOVRCSA-N 1 3 453.627 3.936 20 0 JHADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC001308226464 1070343476 /nfs/dbraw/zinc/34/34/76/1070343476.db2.gz SUHZTIYLPMFUGZ-OAQYLSRUSA-N 1 3 451.533 3.767 20 0 JHADHO CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001313575854 1070692092 /nfs/dbraw/zinc/69/20/92/1070692092.db2.gz UJEXQBRQCCMOAU-UHFFFAOYSA-N 1 3 461.658 3.684 20 0 JHADHO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001313575854 1070692105 /nfs/dbraw/zinc/69/21/05/1070692105.db2.gz UJEXQBRQCCMOAU-UHFFFAOYSA-N 1 3 461.658 3.684 20 0 JHADHO C[NH+](C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(CCC(C)(C)C)CC1)C1CC1 ZINC001314655204 1070771546 /nfs/dbraw/zinc/77/15/46/1070771546.db2.gz KCSXLBJPHDUEKM-QHCPKHFHSA-N 1 3 456.654 3.906 20 0 JHADHO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001313656569 1070850814 /nfs/dbraw/zinc/85/08/14/1070850814.db2.gz JWPKETBRACKYCA-SFTDATJTSA-N 1 3 488.652 3.589 20 0 JHADHO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313704884 1070991873 /nfs/dbraw/zinc/99/18/73/1070991873.db2.gz OMMUUKCVOKHHIE-HSZRJFAPSA-N 1 3 454.663 3.593 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001313726374 1071035013 /nfs/dbraw/zinc/03/50/13/1071035013.db2.gz HPXLNANZUBWHCC-VSKRKVRLSA-N 1 3 491.725 3.557 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313858020 1071357369 /nfs/dbraw/zinc/35/73/69/1071357369.db2.gz FBPHXQCVBFBTSJ-PMOQBDJRSA-N 1 3 481.689 3.798 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313858020 1071357373 /nfs/dbraw/zinc/35/73/73/1071357373.db2.gz FBPHXQCVBFBTSJ-PMOQBDJRSA-N 1 3 481.689 3.798 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)C[C@@H]1C ZINC001313858236 1071358610 /nfs/dbraw/zinc/35/86/10/1071358610.db2.gz ABCGMIDNUJDIMM-PMACEKPBSA-N 1 3 454.619 3.579 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)C[C@@H]1C ZINC001313858236 1071358627 /nfs/dbraw/zinc/35/86/27/1071358627.db2.gz ABCGMIDNUJDIMM-PMACEKPBSA-N 1 3 454.619 3.579 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313860450 1071370163 /nfs/dbraw/zinc/37/01/63/1071370163.db2.gz KZOGXBKBQQOQIF-RZUBCFFCSA-N 1 3 472.678 3.858 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313865915 1071395280 /nfs/dbraw/zinc/39/52/80/1071395280.db2.gz IWICSRXZRUETOO-SFTDATJTSA-N 1 3 470.662 3.613 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313871564 1071417431 /nfs/dbraw/zinc/41/74/31/1071417431.db2.gz UKPLFYBWCMWGRR-ZWKOTPCHSA-N 1 3 479.044 3.767 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874840 1071428643 /nfs/dbraw/zinc/42/86/43/1071428643.db2.gz OFRNEIQPUDGUOO-VJBWXMMDSA-N 1 3 461.658 3.703 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874840 1071428651 /nfs/dbraw/zinc/42/86/51/1071428651.db2.gz OFRNEIQPUDGUOO-VJBWXMMDSA-N 1 3 461.658 3.703 20 0 JHADHO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493758 1071433487 /nfs/dbraw/zinc/43/34/87/1071433487.db2.gz KZOFYVURUSLSCY-GVAUOCQISA-N 1 3 458.647 3.529 20 0 JHADHO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493758 1071433491 /nfs/dbraw/zinc/43/34/91/1071433491.db2.gz KZOFYVURUSLSCY-GVAUOCQISA-N 1 3 458.647 3.529 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313879146 1071447667 /nfs/dbraw/zinc/44/76/67/1071447667.db2.gz YHFMGGLTOOSOFB-TVZXLZGTSA-N 1 3 486.730 3.830 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313879268 1071449333 /nfs/dbraw/zinc/44/93/33/1071449333.db2.gz ZSNWATMVZIYPGK-GIWBLDEGSA-N 1 3 454.663 3.671 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313879268 1071449349 /nfs/dbraw/zinc/44/93/49/1071449349.db2.gz ZSNWATMVZIYPGK-GIWBLDEGSA-N 1 3 454.663 3.671 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919435 1071557027 /nfs/dbraw/zinc/55/70/27/1071557027.db2.gz BMIHBPFGFYRTGF-BJKOFHAPSA-N 1 3 473.754 3.908 20 0 JHADHO CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919435 1071557033 /nfs/dbraw/zinc/55/70/33/1071557033.db2.gz BMIHBPFGFYRTGF-BJKOFHAPSA-N 1 3 473.754 3.908 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313926024 1071574832 /nfs/dbraw/zinc/57/48/32/1071574832.db2.gz DKXIFBGMGSWNRZ-VWLOTQADSA-N 1 3 495.760 3.790 20 0 JHADHO CCN1CCN([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313926024 1071574836 /nfs/dbraw/zinc/57/48/36/1071574836.db2.gz DKXIFBGMGSWNRZ-VWLOTQADSA-N 1 3 495.760 3.790 20 0 JHADHO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC001305930778 1068230389 /nfs/dbraw/zinc/23/03/89/1068230389.db2.gz YCXQGLZMLDBLTP-SGIRGMQISA-N 1 3 468.690 3.783 20 0 JHADHO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC001305930778 1068230396 /nfs/dbraw/zinc/23/03/96/1068230396.db2.gz YCXQGLZMLDBLTP-SGIRGMQISA-N 1 3 468.690 3.783 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306621272 1069308857 /nfs/dbraw/zinc/30/88/57/1069308857.db2.gz XOXVYZPIIZQGPI-FUPPJEDESA-N 1 3 472.678 3.904 20 0 JHADHO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCN1CCOC ZINC001306621272 1069308874 /nfs/dbraw/zinc/30/88/74/1069308874.db2.gz XOXVYZPIIZQGPI-FUPPJEDESA-N 1 3 472.678 3.904 20 0 JHADHO CC(C)CN(c1ccc(CN2CCCC2)cn1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967334 722078608 /nfs/dbraw/zinc/07/86/08/722078608.db2.gz AXTUHBIQPBQWQN-UHFFFAOYSA-N 1 3 476.669 3.791 20 0 JHADHO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306726017 1069467861 /nfs/dbraw/zinc/46/78/61/1069467861.db2.gz JFAZMYGIAUQPJQ-AOHZBQACSA-N 1 3 453.679 3.837 20 0 JHADHO CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306726017 1069467862 /nfs/dbraw/zinc/46/78/62/1069467862.db2.gz JFAZMYGIAUQPJQ-AOHZBQACSA-N 1 3 453.679 3.837 20 0 JHADHO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306802190 1069608220 /nfs/dbraw/zinc/60/82/20/1069608220.db2.gz HLRUBENIYAKCBJ-SJORKVTESA-N 1 3 466.472 3.687 20 0 JHADHO CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306802190 1069608224 /nfs/dbraw/zinc/60/82/24/1069608224.db2.gz HLRUBENIYAKCBJ-SJORKVTESA-N 1 3 466.472 3.687 20 0 JHADHO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312012529 1069669684 /nfs/dbraw/zinc/66/96/84/1069669684.db2.gz PSEKIRCULSVDOG-VWLOTQADSA-N 1 3 450.627 3.540 20 0 JHADHO CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC001314169067 1069674943 /nfs/dbraw/zinc/67/49/43/1069674943.db2.gz TWJPGTSAJBQZOW-ACRUOGEOSA-N 1 3 470.662 3.613 20 0 JHADHO CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC001314169067 1069674946 /nfs/dbraw/zinc/67/49/46/1069674946.db2.gz TWJPGTSAJBQZOW-ACRUOGEOSA-N 1 3 470.662 3.613 20 0 JHADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC001307644739 1070098768 /nfs/dbraw/zinc/09/87/68/1070098768.db2.gz XLRRENUNGNFDPO-UHFFFAOYSA-N 1 3 450.505 3.835 20 0 JHADHO CCOCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001314323433 1070108591 /nfs/dbraw/zinc/10/85/91/1070108591.db2.gz RUPZJVZINVPBLI-RTWAWAEBSA-N 1 3 454.663 3.570 20 0 JHADHO CCOCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314323433 1070108600 /nfs/dbraw/zinc/10/86/00/1070108600.db2.gz RUPZJVZINVPBLI-RTWAWAEBSA-N 1 3 454.663 3.570 20 0 JHADHO CN1CCN(CC2(C)CC[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC2)CC1 ZINC001307665206 1070111764 /nfs/dbraw/zinc/11/17/64/1070111764.db2.gz FFEASNVWMOKWMY-VWLOTQADSA-N 1 3 454.684 3.693 20 0 JHADHO CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001314347100 1070153611 /nfs/dbraw/zinc/15/36/11/1070153611.db2.gz QIOPLJXVEMXPHJ-UHFFFAOYSA-N 1 3 454.663 3.618 20 0 JHADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749554 1070164975 /nfs/dbraw/zinc/16/49/75/1070164975.db2.gz BHKVLGXJHXDKHD-LJQANCHMSA-N 1 3 454.640 3.731 20 0 JHADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749554 1070164978 /nfs/dbraw/zinc/16/49/78/1070164978.db2.gz BHKVLGXJHXDKHD-LJQANCHMSA-N 1 3 454.640 3.731 20 0 JHADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)CC1 ZINC001307918641 1070240816 /nfs/dbraw/zinc/24/08/16/1070240816.db2.gz HPKGATLTVMQTMV-DNQXCXABSA-N 1 3 462.654 3.924 20 0 JHADHO CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCO2 ZINC001308457186 1070378327 /nfs/dbraw/zinc/37/83/27/1070378327.db2.gz PHZWQRFFQXIWBS-HSZRJFAPSA-N 1 3 458.647 3.832 20 0 JHADHO Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001309243836 1070638859 /nfs/dbraw/zinc/63/88/59/1070638859.db2.gz JWSBPPTVCIMSIJ-KEVKATSASA-N 1 3 455.668 3.755 20 0 JHADHO CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001313574807 1070690250 /nfs/dbraw/zinc/69/02/50/1070690250.db2.gz MLRIAZIFQJFTOV-UHFFFAOYSA-N 1 3 461.658 3.684 20 0 JHADHO CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001313574807 1070690259 /nfs/dbraw/zinc/69/02/59/1070690259.db2.gz MLRIAZIFQJFTOV-UHFFFAOYSA-N 1 3 461.658 3.684 20 0 JHADHO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313666737 1070885679 /nfs/dbraw/zinc/88/56/79/1070885679.db2.gz IUESOUXTRJWYNE-RTWAWAEBSA-N 1 3 489.108 3.942 20 0 JHADHO CCN(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccco1 ZINC001313672206 1070903429 /nfs/dbraw/zinc/90/34/29/1070903429.db2.gz FMCVNYHHOFAPCD-QFIPXVFZSA-N 1 3 451.619 3.983 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)C[C@@H]1C ZINC001313858238 1071358231 /nfs/dbraw/zinc/35/82/31/1071358231.db2.gz ABCGMIDNUJDIMM-VQTJNVASSA-N 1 3 454.619 3.579 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)C[C@@H]1C ZINC001313858238 1071358248 /nfs/dbraw/zinc/35/82/48/1071358248.db2.gz ABCGMIDNUJDIMM-VQTJNVASSA-N 1 3 454.619 3.579 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313859106 1071361473 /nfs/dbraw/zinc/36/14/73/1071361473.db2.gz DGFADYSXLHOZBB-MSOLQXFVSA-N 1 3 461.452 3.722 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001313858870 1071361727 /nfs/dbraw/zinc/36/17/27/1071361727.db2.gz CWIXMIOXSHMZSL-AABGKKOBSA-N 1 3 458.651 3.612 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313859785 1071366636 /nfs/dbraw/zinc/36/66/36/1071366636.db2.gz ICAOYHHSNOYUQK-WPFOTENUSA-N 1 3 498.716 3.801 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001313860416 1071370035 /nfs/dbraw/zinc/37/00/35/1071370035.db2.gz KLUFOHYZMCUVHS-ILXRZTDVSA-N 1 3 455.470 3.638 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313861284 1071374383 /nfs/dbraw/zinc/37/43/83/1071374383.db2.gz QCGFUZUVOKHETK-YADHBBJMSA-N 1 3 482.677 3.501 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001313863211 1071380524 /nfs/dbraw/zinc/38/05/24/1071380524.db2.gz RZGFIWLPWWGWCK-MUGJNUQGSA-N 1 3 458.626 3.959 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001313863211 1071380540 /nfs/dbraw/zinc/38/05/40/1071380540.db2.gz RZGFIWLPWWGWCK-MUGJNUQGSA-N 1 3 458.626 3.959 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313868652 1071405489 /nfs/dbraw/zinc/40/54/89/1071405489.db2.gz VPXQMRSJRIMKNL-SKWRMQMOSA-N 1 3 453.679 3.935 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313868652 1071405478 /nfs/dbraw/zinc/40/54/78/1071405478.db2.gz VPXQMRSJRIMKNL-SKWRMQMOSA-N 1 3 453.679 3.935 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313873224 1071424820 /nfs/dbraw/zinc/42/48/20/1071424820.db2.gz KIAQLTWJTKFHJP-ACESQOTJSA-N 1 3 467.706 3.939 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313873224 1071424824 /nfs/dbraw/zinc/42/48/24/1071424824.db2.gz KIAQLTWJTKFHJP-ACESQOTJSA-N 1 3 467.706 3.939 20 0 JHADHO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001313898294 1071505188 /nfs/dbraw/zinc/50/51/88/1071505188.db2.gz PSEQEWAOWUJGIR-SFTDATJTSA-N 1 3 489.709 3.612 20 0 JHADHO CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001313898294 1071505196 /nfs/dbraw/zinc/50/51/96/1071505196.db2.gz PSEQEWAOWUJGIR-SFTDATJTSA-N 1 3 489.709 3.612 20 0 JHADHO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313911591 1071537783 /nfs/dbraw/zinc/53/77/83/1071537783.db2.gz DPDNZSQLGNKQOH-NRFANRHFSA-N 1 3 470.662 3.661 20 0 JHADHO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313911591 1071537788 /nfs/dbraw/zinc/53/77/88/1071537788.db2.gz DPDNZSQLGNKQOH-NRFANRHFSA-N 1 3 470.662 3.661 20 0 JHADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001313945546 1071626777 /nfs/dbraw/zinc/62/67/77/1071626777.db2.gz QGDFVGQQDKOTFF-HXUWFJFHSA-N 1 3 492.087 3.542 20 0 JHADHO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H](c3ccccc3)N3CCC(C)CC3)CC2)CC1 ZINC001311654067 1069490262 /nfs/dbraw/zinc/49/02/62/1069490262.db2.gz MCHVAJSMMRWSTE-SANMLTNESA-N 1 3 455.691 3.660 20 0 JHADHO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001307040672 1069766690 /nfs/dbraw/zinc/76/66/90/1069766690.db2.gz PENJYPOCXASCGW-OAQYLSRUSA-N 1 3 473.735 3.924 20 0 JHADHO CCC[N@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCN(CCC(C)(C)C)CC2)C1 ZINC001307040672 1069766704 /nfs/dbraw/zinc/76/67/04/1069766704.db2.gz PENJYPOCXASCGW-OAQYLSRUSA-N 1 3 473.735 3.924 20 0 JHADHO CCOc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001314226876 1069899406 /nfs/dbraw/zinc/89/94/06/1069899406.db2.gz JBUMUOWZNWLURV-UHFFFAOYSA-N 1 3 470.662 3.661 20 0 JHADHO CN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001312499070 1069974890 /nfs/dbraw/zinc/97/48/90/1069974890.db2.gz GMOPXYVQUADZOI-UIOOFZCWSA-N 1 3 450.627 3.584 20 0 JHADHO CN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001312499070 1069974900 /nfs/dbraw/zinc/97/49/00/1069974900.db2.gz GMOPXYVQUADZOI-UIOOFZCWSA-N 1 3 450.627 3.584 20 0 JHADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707963 1070137709 /nfs/dbraw/zinc/13/77/09/1070137709.db2.gz RHYCBKURIALTLY-NYVOZVTQSA-N 1 3 455.565 3.923 20 0 JHADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707964 1070138081 /nfs/dbraw/zinc/13/80/81/1070138081.db2.gz RHYCBKURIALTLY-YUXAGFNASA-N 1 3 455.565 3.923 20 0 JHADHO CCOCc1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001314395152 1070253293 /nfs/dbraw/zinc/25/32/93/1070253293.db2.gz MKYDJDJUAHFYHD-UHFFFAOYSA-N 1 3 454.663 3.627 20 0 JHADHO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001313453507 1070386391 /nfs/dbraw/zinc/38/63/91/1070386391.db2.gz XWFVRNFNSUNZFF-QHCPKHFHSA-N 1 3 453.679 3.697 20 0 JHADHO CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001313453507 1070386406 /nfs/dbraw/zinc/38/64/06/1070386406.db2.gz XWFVRNFNSUNZFF-QHCPKHFHSA-N 1 3 453.679 3.697 20 0 JHADHO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC001309200714 1070601277 /nfs/dbraw/zinc/60/12/77/1070601277.db2.gz GWOJYSHHJFSDII-AYRHNUGRSA-N 1 3 455.668 3.566 20 0 JHADHO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCCN(C)C2)cc1 ZINC001309200714 1070601285 /nfs/dbraw/zinc/60/12/85/1070601285.db2.gz GWOJYSHHJFSDII-AYRHNUGRSA-N 1 3 455.668 3.566 20 0 JHADHO CCN(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC([NH2+]C(C)C)CC1)c1ccsc1 ZINC001313676485 1070921173 /nfs/dbraw/zinc/92/11/73/1070921173.db2.gz FBJZPNYQQSXKBP-DENIHFKCSA-N 1 3 460.692 3.893 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313864829 1071389350 /nfs/dbraw/zinc/38/93/50/1071389350.db2.gz CKJNCDXWPWGJGH-ZQRMPTRQSA-N 1 3 454.663 3.702 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001313868811 1071403252 /nfs/dbraw/zinc/40/32/52/1071403252.db2.gz BEJKYRLKEWWNOR-NHCUHLMSSA-N 1 3 486.680 3.816 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001313868815 1071403288 /nfs/dbraw/zinc/40/32/88/1071403288.db2.gz BEJKYRLKEWWNOR-SFTDATJTSA-N 1 3 486.680 3.816 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001313871101 1071415906 /nfs/dbraw/zinc/41/59/06/1071415906.db2.gz WWGLXJFHSRIYGL-LEWJYISDSA-N 1 3 451.663 3.788 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@H]1C ZINC001313872807 1071422003 /nfs/dbraw/zinc/42/20/03/1071422003.db2.gz XIZKWPBUFKVKRR-YADHBBJMSA-N 1 3 460.711 3.819 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313873705 1071425750 /nfs/dbraw/zinc/42/57/50/1071425750.db2.gz LPHVIGYVIUDNNS-OTNCWRBYSA-N 1 3 461.658 3.794 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313875304 1071432736 /nfs/dbraw/zinc/43/27/36/1071432736.db2.gz PVIKPYMJQIEMJX-FCHUYYIVSA-N 1 3 453.679 3.837 20 0 JHADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313875304 1071432739 /nfs/dbraw/zinc/43/27/39/1071432739.db2.gz PVIKPYMJQIEMJX-FCHUYYIVSA-N 1 3 453.679 3.837 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313877958 1071443953 /nfs/dbraw/zinc/44/39/53/1071443953.db2.gz YAOQUWYXVRGFNI-CMOCDZPBSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313877958 1071443959 /nfs/dbraw/zinc/44/39/59/1071443959.db2.gz YAOQUWYXVRGFNI-CMOCDZPBSA-N 1 3 454.663 3.993 20 0 JHADHO CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313879144 1071447592 /nfs/dbraw/zinc/44/75/92/1071447592.db2.gz YHFMGGLTOOSOFB-AOJNWGRGSA-N 1 3 486.730 3.830 20 0 JHADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313886303 1071469859 /nfs/dbraw/zinc/46/98/59/1071469859.db2.gz RKIRXANBWLSVJD-CIAFKFPVSA-N 1 3 492.778 3.943 20 0 JHADHO CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4C)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001313947516 1071632184 /nfs/dbraw/zinc/63/21/84/1071632184.db2.gz BASLWVBYXWNUDQ-AREMUKBSSA-N 1 3 481.733 3.512 20 0 JHADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)C1 ZINC001310746171 1069148222 /nfs/dbraw/zinc/14/82/22/1069148222.db2.gz RQQNABOMZNUONA-HXUWFJFHSA-N 1 3 453.027 3.778 20 0 JHADHO