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CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001183195621 1068823568 /nfs/dbraw/zinc/82/35/68/1068823568.db2.gz JORVZFCNSUFSHE-VFOQYASISA-N 0 2 463.535 0.967 20 0 JCADLN CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001183195621 1068823539 /nfs/dbraw/zinc/82/35/39/1068823539.db2.gz JORVZFCNSUFSHE-VFOQYASISA-N 0 2 463.535 0.967 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)CCn1cc(Br)ccc1=O ZINC001183250816 1068833000 /nfs/dbraw/zinc/83/30/00/1068833000.db2.gz FBJYRNHHEKNLKJ-ZDUSSCGKSA-N 0 2 454.281 0.042 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)CCn1cc(Br)ccc1=O ZINC001183250816 1068832979 /nfs/dbraw/zinc/83/29/79/1068832979.db2.gz FBJYRNHHEKNLKJ-ZDUSSCGKSA-N 0 2 454.281 0.042 20 0 JCADLN COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)NCc3n[nH]c(=O)[nH]3)CS2)c(O)c1 ZINC001183418508 1068845685 /nfs/dbraw/zinc/84/56/85/1068845685.db2.gz RYVVIETWFLPWGT-LJQANCHMSA-N 0 2 451.505 0.826 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1 ZINC001183518974 1068855412 /nfs/dbraw/zinc/85/54/12/1068855412.db2.gz RPBREGYPNDSHEV-QYZOEREBSA-N 0 2 484.513 0.428 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1 ZINC001183518974 1068855393 /nfs/dbraw/zinc/85/53/93/1068855393.db2.gz RPBREGYPNDSHEV-QYZOEREBSA-N 0 2 484.513 0.428 20 0 JCADLN CC(C)(C)OC(=O)N[C@H](C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])C1CCOCC1 ZINC001183525134 1068856267 /nfs/dbraw/zinc/85/62/67/1068856267.db2.gz QYOVFWKNCWEAOD-RDJZCZTQSA-N 0 2 467.523 0.348 20 0 JCADLN CC(C)(C)OC(=O)N[C@H](C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])C1CCOCC1 ZINC001183525134 1068856258 /nfs/dbraw/zinc/85/62/58/1068856258.db2.gz QYOVFWKNCWEAOD-RDJZCZTQSA-N 0 2 467.523 0.348 20 0 JCADLN CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001183637858 1068861311 /nfs/dbraw/zinc/86/13/11/1068861311.db2.gz LMUMYZNPXQUGCT-VBKZILBWSA-N 0 2 453.496 0.054 20 0 JCADLN CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001183637858 1068861301 /nfs/dbraw/zinc/86/13/01/1068861301.db2.gz LMUMYZNPXQUGCT-VBKZILBWSA-N 0 2 453.496 0.054 20 0 JCADLN CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001183637859 1068861413 /nfs/dbraw/zinc/86/14/13/1068861413.db2.gz LMUMYZNPXQUGCT-XOBRGWDASA-N 0 2 453.496 0.054 20 0 JCADLN CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001183637859 1068861407 /nfs/dbraw/zinc/86/14/07/1068861407.db2.gz LMUMYZNPXQUGCT-XOBRGWDASA-N 0 2 453.496 0.054 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)CCCCCNS(=O)(=O)c1ccccc1 ZINC001183819726 1068884630 /nfs/dbraw/zinc/88/46/30/1068884630.db2.gz VNEVJIXLGAPNOH-SFHVURJKSA-N 0 2 479.559 0.567 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)CCCCCNS(=O)(=O)c1ccccc1 ZINC001183819726 1068884622 /nfs/dbraw/zinc/88/46/22/1068884622.db2.gz VNEVJIXLGAPNOH-SFHVURJKSA-N 0 2 479.559 0.567 20 0 JCADLN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001183860567 1068886933 /nfs/dbraw/zinc/88/69/33/1068886933.db2.gz VIEBJJVRAMSWEM-CABCVRRESA-N 0 2 453.496 0.054 20 0 JCADLN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001183860567 1068886926 /nfs/dbraw/zinc/88/69/26/1068886926.db2.gz VIEBJJVRAMSWEM-CABCVRRESA-N 0 2 453.496 0.054 20 0 JCADLN Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)COc1ccc(OCC(=O)[O-])cc1)C2 ZINC001183905231 1068891717 /nfs/dbraw/zinc/89/17/17/1068891717.db2.gz AQKLPNYDPJILKX-GOSISDBHSA-N 0 2 488.541 0.737 20 0 JCADLN Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)COc1ccc(OCC(=O)[O-])cc1)C2 ZINC001183905270 1068892179 /nfs/dbraw/zinc/89/21/79/1068892179.db2.gz AQKLPNYDPJILKX-SFHVURJKSA-N 0 2 488.541 0.737 20 0 JCADLN O=C([O-])COc1ccc(OCC(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cc1 ZINC001183906014 1068892123 /nfs/dbraw/zinc/89/21/23/1068892123.db2.gz HGPQGEFZEXHILI-UHFFFAOYSA-N 0 2 453.455 0.763 20 0 JCADLN COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183907035 1068892727 /nfs/dbraw/zinc/89/27/27/1068892727.db2.gz OKLLNLHGMGYZGA-AOMKIAJQSA-N 0 2 450.488 0.784 20 0 JCADLN COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183907036 1068892852 /nfs/dbraw/zinc/89/28/52/1068892852.db2.gz OKLLNLHGMGYZGA-KSFYIVLOSA-N 0 2 450.488 0.784 20 0 JCADLN COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183907037 1068892744 /nfs/dbraw/zinc/89/27/44/1068892744.db2.gz OKLLNLHGMGYZGA-OPAMFIHVSA-N 0 2 450.488 0.784 20 0 JCADLN COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183907136 1068892826 /nfs/dbraw/zinc/89/28/26/1068892826.db2.gz OKLLNLHGMGYZGA-ZHRRBRCNSA-N 0 2 450.488 0.784 20 0 JCADLN Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)COc1ccc(OCC(=O)[O-])cc1)CC2 ZINC001183907998 1068893584 /nfs/dbraw/zinc/89/35/84/1068893584.db2.gz YZFDRMDLZDONHF-UHFFFAOYSA-N 0 2 471.514 0.235 20 0 JCADLN Nc1ccc(CCC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)c[nH+]1 ZINC001183928803 1068894080 /nfs/dbraw/zinc/89/40/80/1068894080.db2.gz GDRFHKMHHYECRQ-INVHHSRLSA-N 0 2 477.374 0.149 20 0 JCADLN Nc1ccc(CCC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)c[nH+]1 ZINC001183928804 1068894066 /nfs/dbraw/zinc/89/40/66/1068894066.db2.gz GDRFHKMHHYECRQ-OEAXYECKSA-N 0 2 477.374 0.149 20 0 JCADLN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])COC1(C)C ZINC001184024770 1068897612 /nfs/dbraw/zinc/89/76/12/1068897612.db2.gz CJRXCJSHOMSPEM-KBPBESRZSA-N 0 2 453.496 0.400 20 0 JCADLN CC(C)(C)OC(=O)N1[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])COC1(C)C ZINC001184024770 1068897602 /nfs/dbraw/zinc/89/76/02/1068897602.db2.gz CJRXCJSHOMSPEM-KBPBESRZSA-N 0 2 453.496 0.400 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)Cc1cc(=O)oc2cc3c(cc12)OCO3 ZINC001184232306 1068910560 /nfs/dbraw/zinc/91/05/60/1068910560.db2.gz PRXBYESRVGCTSZ-AWEZNQCLSA-N 0 2 456.411 0.106 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)Cc1cc(=O)oc2cc3c(cc12)OCO3 ZINC001184232306 1068910538 /nfs/dbraw/zinc/91/05/38/1068910538.db2.gz PRXBYESRVGCTSZ-AWEZNQCLSA-N 0 2 456.411 0.106 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F ZINC001184389489 1068920677 /nfs/dbraw/zinc/92/06/77/1068920677.db2.gz CXPOSOZXUBCTCZ-HNNXBMFYSA-N 0 2 469.420 0.619 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F ZINC001184389489 1068920667 /nfs/dbraw/zinc/92/06/67/1068920667.db2.gz CXPOSOZXUBCTCZ-HNNXBMFYSA-N 0 2 469.420 0.619 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])C2(C)C ZINC001184397209 1068921374 /nfs/dbraw/zinc/92/13/74/1068921374.db2.gz PMPLGTBZVKHYAT-OTRWWLKZSA-N 0 2 463.535 0.919 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])C2(C)C ZINC001184397209 1068921362 /nfs/dbraw/zinc/92/13/62/1068921362.db2.gz PMPLGTBZVKHYAT-OTRWWLKZSA-N 0 2 463.535 0.919 20 0 JCADLN CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001184420134 1068930525 /nfs/dbraw/zinc/93/05/25/1068930525.db2.gz HTELMNGEBGSLHK-MJGOQNOKSA-N 0 2 462.422 0.660 20 0 JCADLN CC(C)(C)OC(=O)NC1(CC(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])CCOCC1 ZINC001184448808 1068922576 /nfs/dbraw/zinc/92/25/76/1068922576.db2.gz ABHXFWBCGQYXDS-HNNXBMFYSA-N 0 2 467.523 0.492 20 0 JCADLN CC(C)(C)OC(=O)NC1(CC(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])CCOCC1 ZINC001184448808 1068922562 /nfs/dbraw/zinc/92/25/62/1068922562.db2.gz ABHXFWBCGQYXDS-HNNXBMFYSA-N 0 2 467.523 0.492 20 0 JCADLN Cc1nc(I)oc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001184653300 1068941473 /nfs/dbraw/zinc/94/14/73/1068941473.db2.gz CGBQJUOCZNHFNY-VIFPVBQESA-N 0 2 461.216 0.243 20 0 JCADLN Cc1nc(I)oc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001184653300 1068941468 /nfs/dbraw/zinc/94/14/68/1068941468.db2.gz CGBQJUOCZNHFNY-VIFPVBQESA-N 0 2 461.216 0.243 20 0 JCADLN Cc1ccc(S(=O)(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1C(=O)[O-] ZINC001184673427 1068939710 /nfs/dbraw/zinc/93/97/10/1068939710.db2.gz KTKOYTGTOHIEID-UHFFFAOYSA-N 0 2 461.544 0.561 20 0 JCADLN O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1cccnc1Cl ZINC001184885320 1068947319 /nfs/dbraw/zinc/94/73/19/1068947319.db2.gz ZCJYXTYERRCECF-DHWSYENGSA-N 0 2 462.933 0.428 20 0 JCADLN O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1cccnc1Cl ZINC001184885321 1068947438 /nfs/dbraw/zinc/94/74/38/1068947438.db2.gz ZCJYXTYERRCECF-FZBSHPCOSA-N 0 2 462.933 0.428 20 0 JCADLN O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cccnc1Cl ZINC001184885322 1068947110 /nfs/dbraw/zinc/94/71/10/1068947110.db2.gz ZCJYXTYERRCECF-QNOGJNQQSA-N 0 2 462.933 0.428 20 0 JCADLN O=S(=O)(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cccnc1Cl ZINC001184885323 1068947085 /nfs/dbraw/zinc/94/70/85/1068947085.db2.gz ZCJYXTYERRCECF-QVXJJGPISA-N 0 2 462.933 0.428 20 0 JCADLN CSc1ncc(O)c(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)n1 ZINC001185177467 1068961625 /nfs/dbraw/zinc/96/16/25/1068961625.db2.gz XCENSVJBOYGSAK-UHFFFAOYSA-N 0 2 453.911 0.105 20 0 JCADLN COc1ccc(S(=O)(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1C(=O)[O-] ZINC001185283028 1068970650 /nfs/dbraw/zinc/97/06/50/1068970650.db2.gz PIZSFMPTDYHBPL-UHFFFAOYSA-N 0 2 477.543 0.262 20 0 JCADLN COc1ccc(S(=O)(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cc1C(=O)[O-] ZINC001185286299 1068971388 /nfs/dbraw/zinc/97/13/88/1068971388.db2.gz BWYDDUSJBKEEKN-UHFFFAOYSA-N 0 2 459.484 0.790 20 0 JCADLN COc1ccc(S(=O)(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc1C(=O)[O-] ZINC001185286739 1068971289 /nfs/dbraw/zinc/97/12/89/1068971289.db2.gz GCXUYBWNIAGZAM-INIZCTEOSA-N 0 2 494.570 0.764 20 0 JCADLN COc1ccc(S(=O)(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc1C(=O)[O-] ZINC001185286741 1068971493 /nfs/dbraw/zinc/97/14/93/1068971493.db2.gz GCXUYBWNIAGZAM-MRXNPFEDSA-N 0 2 494.570 0.764 20 0 JCADLN CC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001185406590 1068979651 /nfs/dbraw/zinc/97/96/51/1068979651.db2.gz LKIHAHSBDJYZLF-PMACEKPBSA-N 0 2 487.557 0.953 20 0 JCADLN CC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001185406590 1068979640 /nfs/dbraw/zinc/97/96/40/1068979640.db2.gz LKIHAHSBDJYZLF-PMACEKPBSA-N 0 2 487.557 0.953 20 0 JCADLN O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1cc2ccccc2s1 ZINC001185464044 1068981689 /nfs/dbraw/zinc/98/16/89/1068981689.db2.gz LIOHGXOOUQCOFN-NSYSGPAISA-N 0 2 467.521 0.881 20 0 JCADLN O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cc2ccccc2s1 ZINC001185464045 1068981346 /nfs/dbraw/zinc/98/13/46/1068981346.db2.gz LIOHGXOOUQCOFN-RBUQIHAASA-N 0 2 467.521 0.881 20 0 JCADLN COc1nc(OC)c(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1Br ZINC001185485296 1068982386 /nfs/dbraw/zinc/98/23/86/1068982386.db2.gz QUXXCHIZDQMQBJ-LBPRGKRZSA-N 0 2 470.280 0.516 20 0 JCADLN COc1nc(OC)c(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1Br ZINC001185485296 1068982376 /nfs/dbraw/zinc/98/23/76/1068982376.db2.gz QUXXCHIZDQMQBJ-LBPRGKRZSA-N 0 2 470.280 0.516 20 0 JCADLN Cc1cc(S(=O)(=O)Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1Cl ZINC001185495844 1068982986 /nfs/dbraw/zinc/98/29/86/1068982986.db2.gz BIRFBVPPSROFGF-ATNYBXOESA-N 0 2 454.892 0.805 20 0 JCADLN CN(C(=O)CN1CCN(C)CC1)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001185605556 1069008700 /nfs/dbraw/zinc/00/87/00/1069008700.db2.gz ZBWOLIWGRHGZFM-UHFFFAOYSA-N 0 2 470.559 0.878 20 0 JCADLN CN(CC(=O)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653358 1069018484 /nfs/dbraw/zinc/01/84/84/1069018484.db2.gz DHSASMJWDIWITI-LLVKDONJSA-N 0 2 475.240 0.546 20 0 JCADLN CN(CC(=O)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653360 1069018765 /nfs/dbraw/zinc/01/87/65/1069018765.db2.gz DHSASMJWDIWITI-NSHDSACASA-N 0 2 475.240 0.546 20 0 JCADLN Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC[C@@H]3C2)cs1 ZINC001185656464 1069020305 /nfs/dbraw/zinc/02/03/05/1069020305.db2.gz FLYRBABTQZTTNT-UKRRQHHQSA-N 0 2 460.497 0.050 20 0 JCADLN Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC[C@@H]3C2)cs1 ZINC001185656464 1069020288 /nfs/dbraw/zinc/02/02/88/1069020288.db2.gz FLYRBABTQZTTNT-UKRRQHHQSA-N 0 2 460.497 0.050 20 0 JCADLN CN(CC(=O)Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661026 1069023397 /nfs/dbraw/zinc/02/33/97/1069023397.db2.gz CETCBONDPIIRIF-UHFFFAOYSA-N 0 2 475.446 0.531 20 0 JCADLN CN(CC(=O)NCc1c[nH+]cn1Cc1cccc(Br)c1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185666145 1069025182 /nfs/dbraw/zinc/02/51/82/1069025182.db2.gz AUOKZSZGBPYPOP-UHFFFAOYSA-N 0 2 459.241 0.859 20 0 JCADLN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)C[C@H]2O)CC1 ZINC001185723225 1069028401 /nfs/dbraw/zinc/02/84/01/1069028401.db2.gz GXFOCGWWGUEECZ-WPKBUWHJSA-N 0 2 498.562 0.608 20 0 JCADLN CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2ncnc3c2ncn3[C@H]2C[C@H](O)[C@@H](CO)O2)CC1 ZINC001185723696 1069028568 /nfs/dbraw/zinc/02/85/68/1069028568.db2.gz OWKPFQFZNCVKOR-RRFJBIMHSA-N 0 2 498.562 0.608 20 0 JCADLN COC(=O)[C@@H](O)CCn1cnc2c1ncnc2NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001185729963 1069028831 /nfs/dbraw/zinc/02/88/31/1069028831.db2.gz TZHGCMGLIFIYCO-AWEZNQCLSA-N 0 2 498.562 0.892 20 0 JCADLN COC(=O)[C@H](O)CCn1cnc2c1ncnc2NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001185729964 1069028875 /nfs/dbraw/zinc/02/88/75/1069028875.db2.gz TZHGCMGLIFIYCO-CQSZACIVSA-N 0 2 498.562 0.892 20 0 JCADLN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001185762340 1069030650 /nfs/dbraw/zinc/03/06/50/1069030650.db2.gz CLBAXQYKFKHKEM-OSAQELSMSA-N 0 2 452.512 0.172 20 0 JCADLN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001185887544 1069061011 /nfs/dbraw/zinc/06/10/11/1069061011.db2.gz KSCHGAVQOSIBBF-UHFFFAOYSA-N 0 2 461.544 0.561 20 0 JCADLN O=S(=O)(Nc1ccccc1S(=O)(=O)N1CCN(CCO)CC1)c1ccc2n[nH]cc2c1 ZINC001185991000 1069063615 /nfs/dbraw/zinc/06/36/15/1069063615.db2.gz ZIKMSDFSKHOIAM-UHFFFAOYSA-N 0 2 465.557 0.662 20 0 JCADLN Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)CC2 ZINC001186157985 1069080179 /nfs/dbraw/zinc/08/01/79/1069080179.db2.gz AHEKZFYVKZDKPJ-UHFFFAOYSA-N 0 2 465.507 0.392 20 0 JCADLN Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C2 ZINC001186164057 1069076949 /nfs/dbraw/zinc/07/69/49/1069076949.db2.gz SNRHHFXDSPYFOI-HNNXBMFYSA-N 0 2 482.534 0.894 20 0 JCADLN Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C2 ZINC001186164058 1069076904 /nfs/dbraw/zinc/07/69/04/1069076904.db2.gz SNRHHFXDSPYFOI-OAHLLOKOSA-N 0 2 482.534 0.894 20 0 JCADLN O=S(=O)(Nc1ccccc1S(=O)(=O)N1CCN(CCO)CC1)c1ccc2nsnc2c1 ZINC001186263350 1069086640 /nfs/dbraw/zinc/08/66/40/1069086640.db2.gz SRTFEZTVUVJSOI-UHFFFAOYSA-N 0 2 483.597 0.791 20 0 JCADLN O=S(=O)(Nc1ccnc2c(N(CCO)CCO)cnn21)c1cncc(Br)c1 ZINC001186382688 1069092879 /nfs/dbraw/zinc/09/28/79/1069092879.db2.gz AMIXMXTUYFEOQZ-UHFFFAOYSA-N 0 2 457.310 0.479 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C(F)(F)C1 ZINC001186450184 1069093778 /nfs/dbraw/zinc/09/37/78/1069093778.db2.gz WRXOADBMTPQQBG-JSGCOSHPSA-N 0 2 473.477 0.920 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C(F)(F)C1 ZINC001186450184 1069093765 /nfs/dbraw/zinc/09/37/65/1069093765.db2.gz WRXOADBMTPQQBG-JSGCOSHPSA-N 0 2 473.477 0.920 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C(F)(F)C1 ZINC001186450192 1069093713 /nfs/dbraw/zinc/09/37/13/1069093713.db2.gz WRXOADBMTPQQBG-OCCSQVGLSA-N 0 2 473.477 0.920 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C(F)(F)C1 ZINC001186450192 1069093681 /nfs/dbraw/zinc/09/36/81/1069093681.db2.gz WRXOADBMTPQQBG-OCCSQVGLSA-N 0 2 473.477 0.920 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001186504136 1069098422 /nfs/dbraw/zinc/09/84/22/1069098422.db2.gz QYSLYWGMJVVWSJ-DNMXQMFDSA-N 0 2 479.534 0.300 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001186504136 1069098412 /nfs/dbraw/zinc/09/84/12/1069098412.db2.gz QYSLYWGMJVVWSJ-DNMXQMFDSA-N 0 2 479.534 0.300 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001186504137 1069098169 /nfs/dbraw/zinc/09/81/69/1069098169.db2.gz QYSLYWGMJVVWSJ-JXSMBQFASA-N 0 2 479.534 0.300 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001186504137 1069098158 /nfs/dbraw/zinc/09/81/58/1069098158.db2.gz QYSLYWGMJVVWSJ-JXSMBQFASA-N 0 2 479.534 0.300 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001186504138 1069098472 /nfs/dbraw/zinc/09/84/72/1069098472.db2.gz QYSLYWGMJVVWSJ-MBGYTDRXSA-N 0 2 479.534 0.300 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001186504138 1069098462 /nfs/dbraw/zinc/09/84/62/1069098462.db2.gz QYSLYWGMJVVWSJ-MBGYTDRXSA-N 0 2 479.534 0.300 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001186504139 1069098290 /nfs/dbraw/zinc/09/82/90/1069098290.db2.gz QYSLYWGMJVVWSJ-OWIUFQIYSA-N 0 2 479.534 0.300 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001186504139 1069098273 /nfs/dbraw/zinc/09/82/73/1069098273.db2.gz QYSLYWGMJVVWSJ-OWIUFQIYSA-N 0 2 479.534 0.300 20 0 JCADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)c1 ZINC001186544566 1069112723 /nfs/dbraw/zinc/11/27/23/1069112723.db2.gz RPYKBSRNLICBLX-UHFFFAOYSA-N 0 2 465.488 0.116 20 0 JCADLN CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)C(C)C ZINC001186616951 1069118628 /nfs/dbraw/zinc/11/86/28/1069118628.db2.gz TWKWYNZICZJXCJ-YOEHRIQHSA-N 0 2 487.542 0.920 20 0 JCADLN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(F)c(Br)c1O ZINC001186634506 1069145691 /nfs/dbraw/zinc/14/56/91/1069145691.db2.gz DPPROTRRAPDRIV-CIUDSAMLSA-N 0 2 461.288 0.766 20 0 JCADLN COc1cc(OC)nc(Oc2cccc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])c2)n1 ZINC001186758028 1069189705 /nfs/dbraw/zinc/18/97/05/1069189705.db2.gz BBHJERIFHJRRKS-INIZCTEOSA-N 0 2 484.469 0.941 20 0 JCADLN COc1cc(OC)nc(Oc2cccc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])c2)n1 ZINC001186758028 1069189699 /nfs/dbraw/zinc/18/96/99/1069189699.db2.gz BBHJERIFHJRRKS-INIZCTEOSA-N 0 2 484.469 0.941 20 0 JCADLN CS(=O)(=O)c1cc(Br)ccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001186827170 1069203139 /nfs/dbraw/zinc/20/31/39/1069203139.db2.gz QSQXMKKWCXJDOK-ZDUSSCGKSA-N 0 2 487.332 0.508 20 0 JCADLN CS(=O)(=O)c1cc(Br)ccc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001186827170 1069203134 /nfs/dbraw/zinc/20/31/34/1069203134.db2.gz QSQXMKKWCXJDOK-ZDUSSCGKSA-N 0 2 487.332 0.508 20 0 JCADLN C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[N@H+]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848945 1069201290 /nfs/dbraw/zinc/20/12/90/1069201290.db2.gz QTCLKWNPFODERK-AJNGGQMLSA-N 0 2 460.553 0.369 20 0 JCADLN C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848945 1069201286 /nfs/dbraw/zinc/20/12/86/1069201286.db2.gz QTCLKWNPFODERK-AJNGGQMLSA-N 0 2 460.553 0.369 20 0 JCADLN C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[N@H+]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848946 1069201469 /nfs/dbraw/zinc/20/14/69/1069201469.db2.gz QTCLKWNPFODERK-XGUBFFRZSA-N 0 2 460.553 0.369 20 0 JCADLN C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848946 1069201462 /nfs/dbraw/zinc/20/14/62/1069201462.db2.gz QTCLKWNPFODERK-XGUBFFRZSA-N 0 2 460.553 0.369 20 0 JCADLN C[C@H]1[C@H](NC(=O)[C@H]2CCCC[N@H+]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848947 1069201809 /nfs/dbraw/zinc/20/18/09/1069201809.db2.gz QTCLKWNPFODERK-XQLPTFJDSA-N 0 2 460.553 0.369 20 0 JCADLN C[C@H]1[C@H](NC(=O)[C@H]2CCCC[N@@H+]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848947 1069201797 /nfs/dbraw/zinc/20/17/97/1069201797.db2.gz QTCLKWNPFODERK-XQLPTFJDSA-N 0 2 460.553 0.369 20 0 JCADLN C[C@H]1[C@H](NC(=O)[C@H]2CCCC[N@H+]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848948 1069201868 /nfs/dbraw/zinc/20/18/68/1069201868.db2.gz QTCLKWNPFODERK-YJNKXOJESA-N 0 2 460.553 0.369 20 0 JCADLN C[C@H]1[C@H](NC(=O)[C@H]2CCCC[N@@H+]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C(=O)N1S(=O)(=O)[O-] ZINC001186848948 1069201861 /nfs/dbraw/zinc/20/18/61/1069201861.db2.gz QTCLKWNPFODERK-YJNKXOJESA-N 0 2 460.553 0.369 20 0 JCADLN O=C1Cc2cc(S(=O)(=O)Nc3ccccc3S(=O)(=O)N3CCN(CCO)CC3)ccc2N1 ZINC001186932121 1069205270 /nfs/dbraw/zinc/20/52/70/1069205270.db2.gz VLTMWTPOVYJVKS-UHFFFAOYSA-N 0 2 480.568 0.281 20 0 JCADLN COc1ccc(CN2C[C@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])CC2=O)c(OC)c1 ZINC001186968931 1069213197 /nfs/dbraw/zinc/21/31/97/1069213197.db2.gz SUQXMJDGPAZPBD-QAPCUYQASA-N 0 2 487.513 0.094 20 0 JCADLN COc1ccc(CN2C[C@H](C(=O)NCCC(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])CC2=O)c(OC)c1 ZINC001186968931 1069213184 /nfs/dbraw/zinc/21/31/84/1069213184.db2.gz SUQXMJDGPAZPBD-QAPCUYQASA-N 0 2 487.513 0.094 20 0 JCADLN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001187043842 1069215850 /nfs/dbraw/zinc/21/58/50/1069215850.db2.gz LONJDTWROVGFJX-LSCFUAHRSA-N 0 2 490.325 0.687 20 0 JCADLN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001187043846 1069215602 /nfs/dbraw/zinc/21/56/02/1069215602.db2.gz LONJDTWROVGFJX-MBMVNNNZSA-N 0 2 490.325 0.687 20 0 JCADLN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001187089486 1069219765 /nfs/dbraw/zinc/21/97/65/1069219765.db2.gz IJEWGQIDXGHQQS-OAGGEKHMSA-N 0 2 495.533 0.074 20 0 JCADLN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001187089486 1069219762 /nfs/dbraw/zinc/21/97/62/1069219762.db2.gz IJEWGQIDXGHQQS-OAGGEKHMSA-N 0 2 495.533 0.074 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C(C)(C)C1 ZINC001187157883 1069220244 /nfs/dbraw/zinc/22/02/44/1069220244.db2.gz ZNOMZSGXMYXPME-CABCVRRESA-N 0 2 451.524 0.921 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C(C)(C)C1 ZINC001187157883 1069220234 /nfs/dbraw/zinc/22/02/34/1069220234.db2.gz ZNOMZSGXMYXPME-CABCVRRESA-N 0 2 451.524 0.921 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C(C)(C)C1 ZINC001187157886 1069220303 /nfs/dbraw/zinc/22/03/03/1069220303.db2.gz ZNOMZSGXMYXPME-GJZGRUSLSA-N 0 2 451.524 0.921 20 0 JCADLN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C(C)(C)C1 ZINC001187157886 1069220292 /nfs/dbraw/zinc/22/02/92/1069220292.db2.gz ZNOMZSGXMYXPME-GJZGRUSLSA-N 0 2 451.524 0.921 20 0 JCADLN O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cc2c(s1)CCCC2 ZINC001187215256 1069224394 /nfs/dbraw/zinc/22/43/94/1069224394.db2.gz NHQWTSFEWIQJLJ-RBUQIHAASA-N 0 2 471.553 0.606 20 0 JCADLN O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1cc2c(s1)CCCC2 ZINC001187219193 1069224443 /nfs/dbraw/zinc/22/44/43/1069224443.db2.gz NHQWTSFEWIQJLJ-NSYSGPAISA-N 0 2 471.553 0.606 20 0 JCADLN CS(=O)(=O)c1ccc(C(F)(F)F)cc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001187271287 1069225137 /nfs/dbraw/zinc/22/51/37/1069225137.db2.gz OPHBTWMDZVBLDQ-ZDUSSCGKSA-N 0 2 476.433 0.764 20 0 JCADLN CS(=O)(=O)c1ccc(C(F)(F)F)cc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001187271287 1069225128 /nfs/dbraw/zinc/22/51/28/1069225128.db2.gz OPHBTWMDZVBLDQ-ZDUSSCGKSA-N 0 2 476.433 0.764 20 0 JCADLN COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c([N-]S(=O)(=O)C(F)F)c1 ZINC001187362009 1069231178 /nfs/dbraw/zinc/23/11/78/1069231178.db2.gz HUAKJZLBTJKFCO-GFCCVEGCSA-N 0 2 457.521 0.906 20 0 JCADLN COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c([N-]S(=O)(=O)C(F)F)c1 ZINC001187362010 1069231325 /nfs/dbraw/zinc/23/13/25/1069231325.db2.gz HUAKJZLBTJKFCO-LBPRGKRZSA-N 0 2 457.521 0.906 20 0 JCADLN CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001187405326 1069232439 /nfs/dbraw/zinc/23/24/39/1069232439.db2.gz NDRXBBRMUBVAHB-HRCADAONSA-N 0 2 467.523 0.442 20 0 JCADLN CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001187405326 1069232430 /nfs/dbraw/zinc/23/24/30/1069232430.db2.gz NDRXBBRMUBVAHB-HRCADAONSA-N 0 2 467.523 0.442 20 0 JCADLN CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001187405329 1069233094 /nfs/dbraw/zinc/23/30/94/1069233094.db2.gz NDRXBBRMUBVAHB-JYJNAYRXSA-N 0 2 467.523 0.442 20 0 JCADLN CO[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001187405329 1069233085 /nfs/dbraw/zinc/23/30/85/1069233085.db2.gz NDRXBBRMUBVAHB-JYJNAYRXSA-N 0 2 467.523 0.442 20 0 JCADLN CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001187405332 1069232970 /nfs/dbraw/zinc/23/29/70/1069232970.db2.gz NDRXBBRMUBVAHB-OWCLPIDISA-N 0 2 467.523 0.442 20 0 JCADLN CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001187405332 1069232960 /nfs/dbraw/zinc/23/29/60/1069232960.db2.gz NDRXBBRMUBVAHB-OWCLPIDISA-N 0 2 467.523 0.442 20 0 JCADLN CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C1 ZINC001187405335 1069232892 /nfs/dbraw/zinc/23/28/92/1069232892.db2.gz NDRXBBRMUBVAHB-PMPSAXMXSA-N 0 2 467.523 0.442 20 0 JCADLN CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001187405335 1069232878 /nfs/dbraw/zinc/23/28/78/1069232878.db2.gz NDRXBBRMUBVAHB-PMPSAXMXSA-N 0 2 467.523 0.442 20 0 JCADLN O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187535547 1069244872 /nfs/dbraw/zinc/24/48/72/1069244872.db2.gz HOHNVLGYWHEPAI-IRXDYDNUSA-N 0 2 487.476 0.918 20 0 JCADLN Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)CC2 ZINC001187555635 1069239375 /nfs/dbraw/zinc/23/93/75/1069239375.db2.gz GVAMGULQEFBMIY-UHFFFAOYSA-N 0 2 481.962 0.906 20 0 JCADLN O=S(=O)(CCc1cccc2ccccc21)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001187616165 1069249516 /nfs/dbraw/zinc/24/95/16/1069249516.db2.gz IJDRIOVMWCHIKK-NSAZKJPHSA-N 0 2 485.522 0.575 20 0 JCADLN O=S(=O)(CCc1cccc2ccccc21)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001187616166 1069249484 /nfs/dbraw/zinc/24/94/84/1069249484.db2.gz IJDRIOVMWCHIKK-WGQQHEPDSA-N 0 2 485.522 0.575 20 0 JCADLN CC1(C)C=C(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])CN1C(=O)c1ccccc1 ZINC001187671496 1069250782 /nfs/dbraw/zinc/25/07/82/1069250782.db2.gz XZZDCPKPAPJHDK-SFHVURJKSA-N 0 2 453.499 0.889 20 0 JCADLN CC1(C)C=C(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])CN1C(=O)c1ccccc1 ZINC001187671496 1069250772 /nfs/dbraw/zinc/25/07/72/1069250772.db2.gz XZZDCPKPAPJHDK-SFHVURJKSA-N 0 2 453.499 0.889 20 0 JCADLN O=S(=O)(Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc(Cl)nc1Cl ZINC001187972859 1069261472 /nfs/dbraw/zinc/26/14/72/1069261472.db2.gz HWSJVPMFBXAUKR-NDDMLRLLSA-N 0 2 481.310 0.368 20 0 JCADLN O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(Cl)nc1Cl ZINC001187972860 1069261423 /nfs/dbraw/zinc/26/14/23/1069261423.db2.gz HWSJVPMFBXAUKR-OWKNBALPSA-N 0 2 481.310 0.368 20 0 JCADLN CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001187989504 1069262219 /nfs/dbraw/zinc/26/22/19/1069262219.db2.gz WOODMUJHIZVMPC-NRFANRHFSA-N 0 2 452.577 0.749 20 0 JCADLN CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001187989504 1069262209 /nfs/dbraw/zinc/26/22/09/1069262209.db2.gz WOODMUJHIZVMPC-NRFANRHFSA-N 0 2 452.577 0.749 20 0 JCADLN CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001187989505 1069261945 /nfs/dbraw/zinc/26/19/45/1069261945.db2.gz WOODMUJHIZVMPC-OAQYLSRUSA-N 0 2 452.577 0.749 20 0 JCADLN CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001187989505 1069261931 /nfs/dbraw/zinc/26/19/31/1069261931.db2.gz WOODMUJHIZVMPC-OAQYLSRUSA-N 0 2 452.577 0.749 20 0 JCADLN CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001187989519 1069262008 /nfs/dbraw/zinc/26/20/08/1069262008.db2.gz XBNIRFISAAUESY-UHFFFAOYSA-N 0 2 474.587 0.768 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cc(=O)c(OCc2ccccc2)co1 ZINC001188128406 1069266493 /nfs/dbraw/zinc/26/64/93/1069266493.db2.gz IYPJFHWQHOWBGE-INIZCTEOSA-N 0 2 454.439 0.874 20 0 JCADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cc(=O)c(OCc2ccccc2)co1 ZINC001188128406 1069266478 /nfs/dbraw/zinc/26/64/78/1069266478.db2.gz IYPJFHWQHOWBGE-INIZCTEOSA-N 0 2 454.439 0.874 20 0 JCADLN Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)CC2 ZINC001188292156 1069269150 /nfs/dbraw/zinc/26/91/50/1069269150.db2.gz SNCTUNZMVMMYOF-UHFFFAOYSA-N 0 2 481.962 0.906 20 0 JCADLN CSc1ncc(Br)c(C(=O)NCCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])n1 ZINC001188457979 1069276148 /nfs/dbraw/zinc/27/61/48/1069276148.db2.gz PSDPZHUGXJBPFE-JTQLQIEISA-N 0 2 457.310 0.616 20 0 JCADLN CSc1ncc(Br)c(C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])n1 ZINC001188457979 1069276144 /nfs/dbraw/zinc/27/61/44/1069276144.db2.gz PSDPZHUGXJBPFE-JTQLQIEISA-N 0 2 457.310 0.616 20 0 JCADLN CCOC(=O)c1cnn(-c2ncccn2)c1NS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188494775 1069279649 /nfs/dbraw/zinc/27/96/49/1069279649.db2.gz FUFIGKMUISWUME-UHFFFAOYSA-N 0 2 459.488 0.871 20 0 JCADLN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)nc2)c2nonc21 ZINC001188531798 1069288654 /nfs/dbraw/zinc/28/86/54/1069288654.db2.gz DTEZLGWKBVXIKG-UHFFFAOYSA-N 0 2 468.517 0.506 20 0 JCADLN COC(=O)c1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188532529 1069289223 /nfs/dbraw/zinc/28/92/23/1069289223.db2.gz PMDABLNKNGRJDD-UHFFFAOYSA-N 0 2 455.514 0.909 20 0 JCADLN Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001188805438 1069298838 /nfs/dbraw/zinc/29/88/38/1069298838.db2.gz 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